 Entering Gaussian System, Link 0=g16
 Input=18_methylcyclopentanone_Boat_STD_B3LYPDBJ-def2SVPDr.in
 Output=18_methylcyclopentanone_Boat_STD_B3LYPDBJ-def2SVPDr.log
 AtFile(1): /user/pierpa/basis_sets/def2SVPD.gbs
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                  0.28148150384D-01      1.0000000
            D    4   1.00
                 19.240334928            0.27039082144D-01
                  5.1178995899           0.13803684743
                  1.6554278827           0.34869086403
                  0.54016355610          0.48594185717
            D    1   1.00
                  0.16211214518           .34374449689
            F    1   1.00
                  0.3450000              1.0000000
            ****
            -Ti     0
            S    6   1.00
              42961.5121850              0.39127635355D-02
               6450.9759169              0.29969820489D-01
               1467.7210915              0.14836352707
                414.20997355             0.51347285324
                134.48715840             1.0335365483
                 46.122209796            0.77854233930
            S    3   1.00
                 89.447762543           -0.28385401259
                 10.223346060            1.6772785333
                  4.1353774271           1.2411928456
            S    3   1.00
                  6.7896181452          -0.78399994518D-02
                  1.1106730691           0.25495493019D-01
                  0.47565975578          0.16061172892D-01
            S    1   1.00
                  0.65986956934D-01      1.0000000
            S    1   1.00
                  0.25210342250D-01      1.0000000
            P    5   1.00
                522.03684782             0.19754179642D-01
                122.68649489             0.14460677619
                 38.572903611            0.54669004165
                 13.672169319            1.0531647540
                  5.0118529359           0.69111213363
            P    3   1.00
                  2.4131928282           0.75803437136
                  0.93252270050          1.3036241399
                  0.35429058390          0.53638653300
            P    1   1.00
                  0.1015610              1.0000000
            P    1   1.00
                  0.35788253200D-01      1.0000000
            D    4   1.00
                 23.465125957            0.26536380115D-01
                  6.3332593832           0.13796453963
                  2.0766489946           0.35312644228
                  0.69027361954          0.48647124166
            D    1   1.00
                  0.21088738554           .33026314258
            F    1   1.00
                  0.5620000              1.0000000
            ****
            -V     0
            S    6   1.00
              47160.3760600              0.14498688908D-02
               7081.4110871              0.11106435251D-01
               1611.1621223              0.55005423585D-01
                454.72940551             0.19060252591
                147.71321208             0.38435022957
                 50.699538950            0.29095546792
            S    3   1.00
                 98.262492669           -0.10942337856
                 11.294293099            0.64539490399
                  4.5853360105           0.47117880777
            S    3   1.00
                  7.6359689588          -0.22454949054
                  1.2539836689           0.72594852764
                  0.53271935387          0.45560582748
            S    1   1.00
                  0.72246239566D-01      1.0000000
            S    1   1.00
                  0.27358087448D-01      1.0000000
            P    5   1.00
                580.55044988             0.97315110917D-02
                136.52341127             0.71531241137D-01
                 42.983958820            0.27197688414
                 15.282798763            0.52618988893
                  5.6202495154           0.34452533498
            P    3   1.00
                  2.7485386415           0.34040396496
                  1.0618550073           0.57983996120
                  0.40235518645          0.23911643083
            P    1   1.00
                  0.1112480              1.0000000
            P    1   1.00
                  0.35000888460D-01      1.0000000
            D    4   1.00
                 27.358434017            0.26641927050D-01
                  7.4540604253           0.13995311726
                  2.4633917847           0.35751066639
                  0.82480925277          0.48488354148
            D    1   1.00
                  0.25257904742           .32332844995
            F    1   1.00
                  0.8310000              1.0000000
            ****
            -Cr     0
            S    6   1.00
              51528.0863490              0.14405823106D-02
               7737.2103487              0.11036202287D-01
               1760.3748470              0.54676651806D-01
                496.87706544             0.18965038103
                161.46520598             0.38295412850
                 55.466352268            0.29090050668
            S    3   1.00
                107.54732999            -0.10932281100
                 12.408671897            0.64472599471
                  5.0423628826           0.46262712560
            S    3   1.00
                  8.5461640165          -0.22711013286
                  1.3900441221           0.73301527591
                  0.56066602876          0.44225565433
            S    1   1.00
                  0.71483705972D-01      1.0000000
            S    1   1.00
                  0.28250687604D-01      1.0000000
            P    5   1.00
                640.48536096             0.96126715203D-02
                150.69711194             0.70889834655D-01
                 47.503755296            0.27065258990
                 16.934120165            0.52437343414
                  6.2409680590           0.34107994714
            P    3   1.00
                  3.0885463206           0.33973986903
                  1.1791047769           0.57272062927
                  0.43369774432          0.24582728206
            P    1   1.00
                  0.1206750              1.0000000
            P    1   1.00
                  0.33978554488D-01      1.0000000
            D    4   1.00
                 27.559479426            0.30612488044D-01
                  7.4687020327           0.15593270944
                  2.4345903574           0.36984421276
                  0.78244754808          0.47071118077
            D    1   1.00
                  0.21995774311           .33941649889
            F    1   1.00
                  1.1470000              1.0000000
            ****
            -Mn     0
            S    6   1.00
              56137.0090370              0.14321304702D-02
               8429.2063943              0.10972509162D-01
               1917.8277233              0.54382468712D-01
                541.36230198             0.18884335129
                176.00069142             0.38198025054
                 60.500477010            0.29156772596
            S    3   1.00
                117.17282882            -0.10933661328
                 13.596973368            0.64305039431
                  5.5483996341           0.45848970584
            S    3   1.00
                  9.4662853530          -0.22538977259
                  1.5595006070           0.72307758657
                  0.65230205868          0.45300721536
            S    1   1.00
                  0.84003734475D-01      1.0000000
            S    1   1.00
                  0.31256098581D-01      1.0000000
            P    5   1.00
                706.00497535             0.95055518167D-02
                166.19728820             0.70356271142D-01
                 52.452061906            0.27005556982
                 18.746932862            0.52574344602
                  6.9282991622           0.34254033223
            P    3   1.00
                  3.4772204938           0.33994073736
                  1.3406906449           0.57203836254
                  0.50498803038          0.23847605831
            P    1   1.00
                  0.1276500              1.0000000
            P    1   1.00
                  0.36336999053D-01      1.0000000
            D    4   1.00
                 35.423264935            0.26985304111D-01
                  9.7814221451           0.14383458648
                  3.2673488767           0.36418958377
                  1.1026472189           0.48152670661
            D    1   1.00
                  0.33743205934           .31458754360
            F    1   1.00
                  1.3260000              1.0000000
            ****
            -Fe     0
            S    6   1.00
              60923.6406430              0.14302254466D-02
               9147.8893982              0.10958790038D-01
               2081.3505927              0.54332554248D-01
                587.55977067             0.18884995009
                191.09043990             0.38253069946
                 65.732730112            0.29308335984
            S    3   1.00
                127.25891928            -0.10964564925
                 14.830913010            0.64387631332
                  6.0653307408           0.45472347323
            S    3   1.00
                 10.449943710           -0.22539639952
                  1.7245228003           0.72164398156
                  0.71772177325          0.44985492922
            S    1   1.00
                  0.91449828308D-01      1.0000000
            S    1   1.00
                  0.33706691021D-01      1.0000000
            P    5   1.00
                773.43750995             0.94325735144D-02
                182.15149714             0.70029620575D-01
                 57.547272758            0.26993651996
                 20.614988935            0.52700011047
                  7.6348557890           0.34284148028
            P    3   1.00
                  3.8719327990           0.33974402988
                  1.4924724132           0.56842594005
                  0.56061284958          0.23649365839
            P    1   1.00
                  0.1349150              1.0000000
            P    1   1.00
                  0.36933633962D-01      1.0000000
            D    4   1.00
                 38.968133419            0.27879664382D-01
                 10.800067078            0.14858319982
                  3.6136457999           0.36905479496
                  1.2129967888           0.47745100883
            D    1   1.00
                  0.36524393170           .31418142304
            F    1   1.00
                  1.5980000              1.0000000
            ****
            -Co     0
            S    6   1.00
              65902.2082570              0.14284614936D-02
               9895.3896027              0.10946072783D-01
               2251.4305789              0.54285953890D-01
                635.61097084             0.18885179079
                206.78820681             0.38301634994
                 71.179242971            0.29443551266
            S    3   1.00
                137.77268040            -0.10990221736
                 16.118079243            0.64455537395
                  6.6030327710           0.45116787924
            S    3   1.00
                 11.479915788           -0.22593846910
                  1.8956426324           0.72231409008
                  0.78466232067          0.44903812296
            S    1   1.00
                  0.98425774432D-01      1.0000000
            S    1   1.00
                  0.35945741932D-01      1.0000000
            P    5   1.00
                843.64358575             0.93866097254D-02
                198.76386994             0.69880208716D-01
                 62.854963098            0.27037070345
                 22.562842280            0.52904786880
                  8.3713209127           0.34357029579
            P    3   1.00
                  4.2858719800           0.34027999036
                  1.6508041817           0.56693392384
                  0.61834231096          0.23617979783
            P    1   1.00
                  0.1413080              1.0000000
            P    1   1.00
                  0.37744197011D-01      1.0000000
            D    4   1.00
                 42.927867612            0.28487788365D-01
                 11.942533053            0.15206951283
                  4.0046495664           0.37310913999
                  1.3413193804           0.47549837676
            D    1   1.00
                  0.40015009743           .31346831424
            F    1   1.00
                  1.9030000              1.0000000
            ****
            -Ni     0
            S    6   1.00
              71074.8032110              0.14260386729D-02
              10672.0209410              0.10928236994D-01
               2428.1389007              0.54212626938D-01
                685.53595148             0.18874768902
                223.10072863             0.38324616985
                 76.842014042            0.29550637144
            S    3   1.00
                148.71122016            -0.11014443059
                 17.459154987            0.64521426988
                  7.1625280665           0.44797838103
            S    3   1.00
                 12.556137125           -0.22645403224
                  2.0735740488           0.72320959286
                  0.85382640602          0.44868026476
            S    1   1.00
                  0.10536766271          1.0000000
            S    1   1.00
                  0.38134087688D-01      1.0000000
            P    5   1.00
                916.73608662             0.93439635610D-02
                216.06139913             0.69737374902D-01
                 68.383914817            0.27073495012
                 24.593843952            0.53078301549
                  9.1392960204           0.34410229438
            P    3   1.00
                  4.7193371746           0.34076082016
                  1.8161849234           0.56580169611
                  0.67840750720          0.23616717361
            P    1   1.00
                  0.1465880              1.0000000
            P    1   1.00
                  0.38905548722D-01      1.0000000
            D    4   1.00
                 47.093832108            0.28982316948D-01
                 13.146463975            0.15494995950
                  4.4170548925           0.37633115111
                  1.4771565078           0.47365096014
            D    1   1.00
                  0.43735921792           .31247837833
            F    1   1.00
                  2.1740000              1.0000000
            ****
            -Cu     0
            S    6   1.00
              76381.3480560              0.14336079896D-02
              11468.7774990              0.10986749865D-01
               2609.4246495              0.54513652465D-01
                736.75033098             0.18990128258
                239.82419958             0.38581959211
                 82.656829252            0.29790607498
            S    3   1.00
                160.13544196            -0.11146778567
                 18.834177695            0.65349301031
                  7.7176595741           0.44770534421
            S    3   1.00
                 13.710846717           -0.22870911122
                  2.2349895670           0.73464423031
                  0.87818360069          0.43273070874
            S    1   1.00
                  0.87187458064D-01      1.0000000
            S    1   1.00
                  0.32969114665D-01      1.0000000
            P    5   1.00
                991.24075782             0.93878498798D-02
                233.69376116             0.70208282458D-01
                 74.020930927            0.27323522220
                 26.664967447            0.53580792728
                  9.9192087478           0.34575794906
            P    3   1.00
                  5.1519553926           0.34229108083
                  1.9638205828           0.56456592484
                  0.71560097037          0.24078584318
            P    1   1.00
                  0.1550650              1.0000000
            P    1   1.00
                  0.38734214974D-01      1.0000000
            D    4   1.00
                 47.335049590            0.32375547758D-01
                 13.161666077            0.16810218684
                  4.3693777244           0.38477707982
                  1.4132925109           0.46147880178
            D    1   1.00
                  0.38878001452           .32388873258
            F    1   1.00
                  2.2330000              1.0000000
            ****
            -Zn     0
            S    6   1.00
              82000.7116290              0.14210764000D-02
              12312.4717770              0.10891499487D-01
               2801.3944193              0.54057188059D-01
                790.99424302             0.18847463904
                257.56551079             0.38346549346
                 88.814933400            0.29723794197
            S    3   1.00
                171.86353716            -0.11051849523
                 20.302534785            0.64607716984
                  8.3464123068           0.44220117322
            S    3   1.00
                 14.847536940           -0.22705309278
                  2.4495029507           0.72433217935
                  0.99845821824          0.44836495592
            S    1   1.00
                  0.11891307937          1.0000000
            S    1   1.00
                  0.42297428760D-01      1.0000000
            P    5   1.00
               1071.5185372              0.92767797235D-02
                252.69712152             0.69541149434D-01
                 80.100829126            0.27156772564
                 28.903393172            0.53401355573
                 10.768899879            0.34501323446
            P    3   1.00
                  5.6446212530           0.34129600164
                  2.1678291347           0.56390521973
                  0.80540898341          0.23676109735
            P    1   1.00
                  0.1624550              1.0000000
            P    1   1.00
                  0.42022716037D-01      1.0000000
            D    4   1.00
                 56.088939191            0.29588869140D-01
                 15.751908917            0.158725714045
                  5.3115812367           0.379762291591
                  1.7737904917           0.468989591719
            D    1   1.00
                  0.51975583665           .309071490776
            F    1   1.00
                  2.6140000              1.0000000
            ****
            -Ga     0
            S    6   1.00
              87842.1262960              0.14271588798D-02
              13189.4964020              0.10938894097D-01
               3000.9482141              0.54308200127D-01
                847.38425966             0.18951055983
                276.00980642             0.38615185918
                 95.216672071            0.30051082719
            S    3   1.00
                184.00703968            -0.11124461963
                 21.827051433            0.64831322918
                  9.0026963761           0.44358383594
            S    3   1.00
                 16.033176938           -0.23014299555
                  2.6707724878           0.72946861516
                  1.1252834170           0.46214976951
            S    1   1.00
                  0.15967608829          1.0000000
            S    1   1.00
                  0.57643044753D-01      1.0000000
            S    1   1.00
                  0.31819812628D-01      1.0000000
            P    5   1.00
               1167.2665844              0.90974021307D-02
                275.38062789             0.68456273343D-01
                 87.375073070            0.26922293888
                 31.597254670            0.53507897882
                 11.824122798            0.35279062760
            P    3   1.00
                  6.2881845133           0.33938244530
                  2.5199853240           0.56871947608
                  1.0169726306           0.27717694939
            P    1   1.00
                  0.24748373604          1.0000000
            P    1   1.00
                  0.66685294163D-01      1.0000000
            D    4   1.00
                 65.354237674            0.27370146382D-01
                 18.504656747            0.15099463976
                  6.3179620632           0.37485328545
                  2.1641389426           0.47510606851
            D    1   1.00
                  0.66693092754           .29843287401
            D    1   1.00
                  0.2070000              1.0000000
            D    1   1.00
                  0.49799390975D-01      1.0000000
            ****
            -Ge     0
            S    6   1.00
              93889.8366420              0.14233976060D-02
              14097.4975280              0.10910795654D-01
               3207.5477309              0.54183705943D-01
                905.76727269             0.18922820349
                295.11014693             0.38612847001
                101.84713141             0.30164050736
            S    3   1.00
                196.56719662            -0.11118770940
                 23.405292522            0.64616007369
                  9.6839116702           0.44188904568
            S    3   1.00
                 17.269736544           -0.23027421375
                  2.8964622160           0.73017169398
                  1.2553621412           0.46197222255
            S    1   1.00
                  0.20213081492          1.0000000
            S    1   1.00
                  0.73867910982D-01      1.0000000
            S    1   1.00
                  0.43410224935D-01      1.0000000
            P    5   1.00
               1259.2085995              0.90115464252D-02
                297.15626382             0.67986841689D-01
                 94.353387522            0.26853856488
                 34.176329677            0.53659649219
                 12.816139615            0.35633514961
            P    3   1.00
                  6.8471029784           0.33900693119
                  2.7717363939           0.56809365264
                  1.1458418175           0.27246539884
            P    1   1.00
                  0.30679631536          1.0000000
            P    1   1.00
                  0.89283644115D-01      1.0000000
            D    4   1.00
                 74.782168177            0.25755860205D-01
                 21.310849759            0.14536816132
                  7.3464792363           0.37134209859
                  2.5656271395           0.48002998436
            D    1   1.00
                  0.81981773070           .28978790744
            D    1   1.00
                  0.2460000              1.0000000
            D    1   1.00
                  0.66328328796D-01      1.0000000
            ****
            -As     0
            S    6   1.00
             100146.5255400              0.14258349617D-02
              15036.8617110              0.10930176963D-01
               3421.2902833              0.54294174610D-01
                966.16965717             0.18976078153
                314.87394026             0.38775195453
                108.70823790             0.30402812040
            S    3   1.00
                209.54238950            -0.11162094204
                 25.038221139            0.64697607762
                 10.390964343            0.44223608673
            S    3   1.00
                 18.555090093           -0.22994190569
                  3.1281217449           0.73319107613
                  1.3884885073           0.45533653943
            S    1   1.00
                  0.24714362141          1.0000000
            S    1   1.00
                  0.91429428670D-01      1.0000000
            S    1   1.00
                  0.55939685220D-01      1.0000000
            P    5   1.00
               1355.6443507              0.89182507898D-02
                319.99929270             0.67454750717D-01
                101.67734092             0.26759772110
                 36.886323845            0.53776844520
                 13.861115909            0.35992570244
            P    3   1.00
                  7.4260666912           0.34036849637
                  3.0316247187           0.57030149334
                  1.2783078340           0.26606170238
            P    1   1.00
                  0.37568503356          1.0000000
            P    1   1.00
                  0.11394805454          1.0000000
            D    4   1.00
                 84.445514539            0.24518402724D-01
                 24.190416102            0.14107454677
                  8.4045015119           0.36875228915
                  2.9808970748           0.48409561362
            D    1   1.00
                  0.97909243359           .28250268781
            D    1   1.00
                  0.2930000              1.0000000
            D    1   1.00
                  0.84097628016D-01      1.0000000
            ****
            -Se     0
            S    6   1.00
             106612.2002700              0.14274889113D-02
              16007.6047010              0.10943525114D-01
               3642.1699707              0.54374171596D-01
               1028.5912993              0.19018092947
                335.30298888             0.38913021696
                115.80129154             0.30620207088
            S    3   1.00
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            ****
            -Sb     0
            S    6   1.00
                372.76139166             0.15878057239D-02
                 22.689478596           -0.15027605583
                 18.391547037            0.35915813039
                  7.6406271414          -0.74805091065
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            S    2   1.00
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            S    1   1.00
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                 10.052739237           -0.41511149340
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            P    1   1.00
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            P    1   1.00
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                 18.504059617           -0.54952972010D-02
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                  1.7142196009           0.51273377761
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            D    1   1.00
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            ****
            -Te     0
            S    6   1.00
                396.47954659             0.26307731203D-02
                 21.919773309           -0.13203517066
                 18.061271390            0.36203197834
                  8.1403463241          -0.75591120276
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            S    2   1.00
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            S    1   1.00
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            S    1   1.00
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                 10.433943171           -0.41205302672
                  1.3623024763           0.78760578076
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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                 18.884095378           -0.35221408938D-02
                  4.2527304630           0.28254216065
                  1.8757557092           0.52039372916
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            D    1   1.00
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            D    1   1.00
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            ****
            -I     0
            S    6   1.00
                445.90489176             0.20037290389D-02
                 23.336842412           -0.14989397324
                 19.583446104            0.36436474913
                  8.5112089186          -0.75538138199
                  2.1996161861           0.82816359356
                  1.0668970454           0.42161048110
            S    2   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
                 20.499027254            0.77159335656D-01
                 10.558754576           -0.38370372780
                  1.5015895485           0.83554174719
                  0.64597173095          0.16787259488
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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                 51.235354920            0.40345130346D-02
                 15.616239482           -0.50768108881D-02
                  4.5266002139           0.29151065356
                  2.0529808766           0.51145783605
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            D    1   1.00
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            D    1   1.00
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            ****
            -Xe     0
            S    5   1.00
               6420.2481656              0.25092173886D-03
                983.54530664             0.16251948178D-02
                219.43881364             0.46037106451D-02
                 23.012587807           -0.14698707182
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            S    2   1.00
                 11.752550163            0.66038420156
                  6.2390917199           0.38470524721
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
                 13.960683826           -0.50950157807D-01
                  4.0928947097           0.36669211800
                  2.2546815460           0.72619456861
                  1.1546596184           0.35555871740
            P    3   1.00
                193.81432545             0.95394802497D-03
                 21.725228086            0.57393353332D-01
                  9.8891605641          -0.27974266640
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    6   1.00
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                 38.727062692            0.60897654151D-02
                 15.377328089           -0.92782985596D-02
                  5.2602537686           0.22890785589
                  2.6590627424           0.44434407051
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            D    1   1.00
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            ****
            -Cs     0
            S    3   1.00
                  5.8778113443           0.12859994983
                  4.3631538286          -0.34632569725
                  1.8048475155           0.69930637051
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  1.9656663360          -0.25019961976
                  0.47689195212          0.55660850066
                  0.21529749588          0.58218553406
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    1   1.00
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            D    1   1.00
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            ****
            -Ba     0
            S    3   1.00
                  2.3961900000          -5.9554766710
                  2.2433050000           6.6805648241
                  0.71740200000         -0.57055347037
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  2.5207180000          -1.0707548832
                  0.67578180854          0.34940781448
                  0.31985844531          0.65041110673
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.1038910              0.4732600
            D    1   1.00
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            F    4   1.00
                 10.00                   0.073
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                  1.00                   0.350
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            ****
            -La     0
            S    2   1.00
                  5.0873990000          -0.44173707857
                  4.2709780000           0.85812489720
            S    1   1.00
                  2.1823803999           1.0000000
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  2.3820950000           0.51718364643673D+00
                  0.67246658081         -0.44823115995325D+00
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.89049882672          0.25137236211233D+00
                  0.32947291040          0.44604068239531D+00
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            D    1   1.00
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            ****
            -Hf     0
            S    2   1.00
                 14.592485000           -0.80196298812
                 11.547491000            1.5261602829
            S    1   1.00
                  4.9112973928           1.0000000
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  5.9599790000          -0.83713508620273
                  1.0921117054           0.50570506286223
                  0.49702823217          0.51965388690539
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  1.3077987772           0.18409232564002
                  0.53272310298          0.41484423515705
                  0.20564954488          0.44224303496859
            D    1   1.00
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            F    1   1.00
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            ****
            -Ta     0
            S    2   1.00
                 14.400000000            0.99343296745
                 12.000000000           -1.6510077975
            S    1   1.00
                  5.0701477302           1.0000000
            S    1   1.00
                  0.86033356487          1.0000000
            S    1   1.00
                  0.37158938894          1.0000000
            S    1   1.00
                  0.10745336254          1.0000000
            S    1   1.00
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                  5.6984100000          -0.46968874449
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                  0.54478533555          0.52298161137
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.61042908544          0.42959071631
                  0.24216276510          0.43497228231503D+00
            D    1   1.00
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            ****
            -W     0
            S    2   1.00
                 15.000000000           -0.53315505392
                 12.000000000            1.0014141748
            S    1   1.00
                  5.2610967725           1.0000000
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                  0.11585976646          1.0000000
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                  6.0848760000          -0.66720686321
                  1.2523777812           0.52090351989
                  0.58569208922          0.51885687511
            P    1   1.00
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            D    4   1.00
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                  0.69187452392          0.44121676843
                  0.27865835325          0.43158409241461D+00
            D    1   1.00
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            ****
            -Re     0
            S    2   1.00
                 14.781862000           -1.1395193885
                 12.324075000            1.9371421121
            S    1   1.00
                  5.5098597284           1.0000000
            S    1   1.00
                  0.98874104687          1.0000000
            S    1   1.00
                  0.42833312030          1.0000000
            S    1   1.00
                  0.12296804533          1.0000000
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            P    4   1.00
                  7.4040050000           0.54510937865
                  6.3502060000          -0.76096056536
                  1.3311713455           0.53252276765
                  0.62659600547          0.51483045040
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.78702048429          0.45160766937
                  0.32069843172          0.43261236265745D+00
            D    1   1.00
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                  0.4898900              1.0000000
            ****
            -Os     0
            S    2   1.00
                 15.286736000           -1.0647114485
                 12.700638000            1.8433193269
            S    1   1.00
                  5.7094832504           1.0000000
            S    1   1.00
                  1.0689228744           1.0000000
            S    1   1.00
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            S    1   1.00
                  0.13253456992          1.0000000
            S    1   1.00
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            P    4   1.00
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                  6.3036410000          -0.56379438345
                  1.4351579676           0.52360040577
                  0.68442749722          0.52445339821
            P    1   1.00
                  0.28347394974          1.0000000
            P    1   1.00
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            P    1   1.00
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            D    4   1.00
                  3.5808150000          -0.42773932262
                  3.1961650000           0.44501403992
                  1.0550226354           0.43689459722
                  0.41588406618          0.48220605798770D+00
            D    1   1.00
                  0.14653507868          1.0000000
            F    1   1.00
                  0.5506500              1.0000000
            ****
            -Ir     0
            S    2   1.00
                 15.293709000           -1.6731899791
                 13.573682000            2.3934378976
            S    1   1.00
                  5.8213436542           1.0000000
            S    1   1.00
                  1.1520364268           1.0000000
            S    1   1.00
                  0.51104895338          1.0000000
            S    1   1.00
                  0.14084043578          1.0000000
            S    1   1.00
                  0.49828673085D-01      1.0000000
            P    4   1.00
                  8.6697960000           0.21469187346391
                  6.2456140000          -0.44863071815131
                  1.5657036153           0.50653393256771
                  0.75577412863          0.54052273352337
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.3617430000           0.56835425804006
                  1.1177053710           0.44304381513032
                  0.44322534858          0.47078394930144
            D    1   1.00
                  0.15641305125          1.0000000
            F    1   1.00
                  0.6100800              1.0000000
            ****
            -Pt     0
            S    2   1.00
                 16.559563000           -0.53808800717
                 13.892440000            0.91402161377
            S    1   1.00
                  5.8531044732           1.0000000
            S    1   1.00
                  1.2498640609           1.0000000
            S    1   1.00
                  0.55606439459          1.0000000
            S    1   1.00
                  0.13793093812          1.0000000
            S    1   1.00
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            P    4   1.00
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                  7.2000000000          -0.95441807252
                  1.5588402917           0.57140490320
                  0.73230402180          0.49508234268
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.93629991261          0.46533857641
                  0.37160028160          0.41129165525
            D    1   1.00
                  0.13155928617          1.0000000
            F    1   1.00
                  0.6681300              1.0000000
            ****
            -Au     0
            S    2   1.00
                 20.115299000           -0.15910719389
                 12.193477000            0.79105526778
            S    1   1.00
                  6.0735294368           1.0000000
            S    1   1.00
                  1.3174451569           1.0000000
            S    1   1.00
                  0.58596768244          1.0000000
            S    1   1.00
                  0.13875427354          1.0000000
            S    1   1.00
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            P    4   1.00
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                  7.3353260000          -0.72681584494
                  1.6575296365           0.57315511417
                  0.78159310216          0.49579068859
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.5682570000           0.40197233762
                  1.2345757130           0.46001988624
                  0.48190232338          0.46152130957882D+00
            D    1   1.00
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            F    1   1.00
                  0.7248200              1.0000000
            ****
            -Hg     0
            S    2   1.00
                 26.842049000           -0.26845096483D-01
                 10.320909000            0.81771278143
            S    1   1.00
                  6.3656242291           1.0000000
            S    1   1.00
                  1.3898932095           1.0000000
            S    1   1.00
                  0.63706742699          1.0000000
            S    1   1.00
                  0.16047725098          1.0000000
            S    1   1.00
                  0.56410423453D-01      1.0000000
            P    4   1.00
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                  7.1690950000          -0.44026342153
                  1.7559567931           0.58406314464
                  0.83145670425          0.49359746203
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.4800000000           0.37748470203231
                  1.2535869926           0.48342275878173
                  0.50841366863          0.43493523158359
            D    1   1.00
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            F    1   1.00
                  0.7956900              1.0000000
            ****
            -Tl     0
            S    6   1.00
                 45.356924655            0.50938157397D-02
                 20.278843336           -0.14805704314
                 14.420612394            0.36768453564
                  6.2161909754          -0.66820394623
                  1.5002511178           0.96232806743
                  0.76330879305          0.33175999361
            S    2   1.00
                  7.8193195283          -0.18828631537D-01
                  1.3176904042           0.32093431467
            S    1   1.00
                  0.17643545481          1.0000000
            S    1   1.00
                  0.65296835238D-01      1.0000000
            S    1   1.00
                  0.24592841139D-01      1.0000000
            P    4   1.00
                  9.0323058024           0.22738839085
                  7.5356419671          -0.35117975889
                  1.0521421998           0.25690085604
                  0.50303932656          0.84549942764D-01
            P    1   1.00
                  2.0067660913           1.0000000
            P    1   1.00
                  0.16675605056          1.0000000
            P    1   1.00
                  0.48596401464D-01      1.0000000
            D    5   1.00
                  9.4421940760           0.58250776986D-01
                  7.4410003381          -0.11789199301
                  1.9831617772           0.34232057636
                  0.91671748567          0.47557282350
                  0.39647207885          0.30528029435
            D    1   1.00
                  0.15500000000          1.0000000
            D    1   1.00
                  0.39237960293D-01      1.0000000
            ****
            -Pb     0
            S    6   1.00
                 55.727520333            0.29681153058D-02
                 20.302912827           -0.14352634362
                 14.558628750            0.37554188507
                  6.5370530973          -0.67253099800
                  1.5933900686           0.95887533909
                  0.83051419711          0.32593632538
            S    2   1.00
                  8.0719473648          -0.20412061217D-01
                  1.4165737490           0.32865829049
            S    1   1.00
                  0.20418933370          1.0000000
            S    1   1.00
                  0.77159007761D-01      1.0000000
            S    1   1.00
                  0.33059793391D-01      1.0000000
            P    4   1.00
                  9.5531412199           0.20542943990
                  7.5327685129          -0.36407590058
                  1.1185539567           0.32217481686
                  0.53739855255          0.96677743015D-01
            P    1   1.00
                  2.1359869828           1.0000000
            P    1   1.00
                  0.20027494801          1.0000000
            P    1   1.00
                  0.63408011513D-01      1.0000000
            D    5   1.00
                 13.494505735            0.11571042371D-01
                  7.0609770411          -0.66746645076D-01
                  2.1581835375           0.33978760942
                  1.0148541418           0.48523039273
                  0.44632672920          0.29682924018
            D    1   1.00
                  0.17500000000          1.0000000
            D    1   1.00
                  0.50585085346D-01      1.0000000
            ****
            -Bi     0
            S    6   1.00
                175.19632102             0.80278879028D-03
                 19.820147783           -0.14624461250
                 14.960110102            0.37435719885
                  6.7065785571          -0.68476017748
                  1.7391967524           0.90967322081
                  0.94504730591          0.38695797807
            S    2   1.00
                  8.4636832909          -0.20037183144D-01
                  1.5317838545           0.31054408682
            S    1   1.00
                  0.23405391503          1.0000000
            S    1   1.00
                  0.90268814613D-01      1.0000000
            S    1   1.00
                  0.41577775054D-01      1.0000000
            P    4   1.00
                 10.672046293            0.14391258793
                  7.1992185915          -0.37994608603
                  1.5359697528           0.53268032065
                  0.72201275727          0.23037698678
            P    1   1.00
                  2.8508661858           1.0000000
            P    1   1.00
                  0.23769418731          1.0000000
            P    1   1.00
                  0.78768140453D-01      1.0000000
            D    5   1.00
                 15.834273510            0.85062993231D-02
                  7.0956896087          -0.65954380016D-01
                  2.3363137007           0.33707163406
                  1.1208861366           0.49128719933
                  0.50309487376          0.29095930644
            D    1   1.00
                  0.20000000000          1.0000000
            D    1   1.00
                  0.62256480090D-01      1.0000000
            ****
            -Po     0
            S    6   1.00
                278.13783916             0.91690497839D-03
                 19.659291105           -0.14713009283
                 15.016229647            0.38790413631
                  7.1149978720          -0.67059966298
                  1.7879214122           0.91212928327
                  0.94021655206          0.29153755200
            S    2   1.00
                  8.7584161749          -0.21561417525D-01
                  1.6503945866           0.31638990001
            S    1   1.00
                  0.26329582133          1.0000000
            S    1   1.00
                  0.10190654304          1.0000000
            S    1   1.00
                  0.36854928339D-01      1.0000000
            P    4   1.00
                 10.445945973            0.23631841405
                  8.0293101888          -0.45017818996
                  1.3588798023           0.44160334658
                  0.66829182929          0.14575285544
            P    1   1.00
                  2.4460635387           1.0000000
            P    1   1.00
                  0.27242942777          1.0000000
            P    1   1.00
                  0.88796031338D-01      1.0000000
            P    1   1.00
                  0.24278917089D-01      1.0000000
            D    5   1.00
                 18.292670150            0.72030963652D-02
                  7.1695578539          -0.66160544754D-01
                  2.5029225180           0.34363449378
                  1.2115945443           0.50529101033
                  0.54713334240          0.28301155453
            D    1   1.00
                  0.21500000000          1.0000000
            D    1   1.00
                  0.60680939679D-01      1.0000000
            ****
            -At     0
            S    6   1.00
                303.23376176             0.63504969788D-03
                 20.289449240           -0.13823165350
                 15.383783126            0.38333193283
                  7.4702184232          -0.66837560338
                  1.8731608346           0.91545877992
                  0.97426847543          0.25559567998
            S    2   1.00
                  8.9610112498          -0.23092977605D-01
                  1.7804284294           0.31690635939
            S    1   1.00
                  0.29269461143          1.0000000
            S    1   1.00
                  0.11395353119          1.0000000
            S    1   1.00
                  0.42558321816D-01      1.0000000
            P    4   1.00
                 10.722023134            0.26194870008
                  8.4823338656          -0.46607228264
                  1.3474291294           0.42119853309
                  0.62824011467          0.10643224457
            P    1   1.00
                  2.4814896839           1.0000000
            P    1   1.00
                  0.31036518470          1.0000000
            P    1   1.00
                  0.10144862043          1.0000000
            P    1   1.00
                  0.26996558228D-01      1.0000000
            D    5   1.00
                 20.799819604            0.65227965381D-02
                  7.1664616770          -0.67780885217D-01
                  2.6934397048           0.33954991335
                  1.3175112423           0.50899559178
                  0.59997066293          0.27526771759
            D    1   1.00
                  0.23500000000          1.0000000
            D    1   1.00
                  0.67929272623D-01      1.0000000
            ****
            -Rn     0
            S    5   1.00
               5187.7442468              0.16097034848D-03
                768.14491207             0.10508214789D-02
                159.35182065             0.27375438093D-02
                 21.863432724           -0.55045904905
                 18.388689978            0.78321373922
            S    2   1.00
                 24.816226448           -0.82636797204D-01
                  7.2923301677           1.0926256000
            S    1   1.00
                  2.0850437166           1.0000000
            S    1   1.00
                  1.0915245945           1.0000000
            S    1   1.00
                  0.34915708428          1.0000000
            S    1   1.00
                  0.13648422952          1.0000000
            S    1   1.00
                  0.46837581728D-01      1.0000000
            P    4   1.00
                  9.0845000304          -0.23093917426
                  6.2631489717           0.39747614192
                  2.2545193734           0.83026693838
                  1.1180666918           0.51467013112
            P    3   1.00
                194.68918723             0.26265814046D-03
                 11.210013525            0.19952302621
                  7.5298316489          -0.45994479561
            P    1   1.00
                  0.47444492594          1.0000000
            P    1   1.00
                  0.20172354616          1.0000000
            P    1   1.00
                  0.79503144392D-01      1.0000000
            P    1   1.00
                  0.22264519316D-01      1.0000000
            D    6   1.00
                 75.302723665            0.73590238429D-03
                 17.965913830            0.89490827389D-02
                  7.3741298033          -0.76641663693D-01
                  3.2296258578           0.22975404602
                  1.7937840508           0.43991495311
                  0.94633319732          0.35259395198
            D    1   1.00
                  0.46860482223          1.0000000
            D    1   1.00
                  0.20000000000          1.0000000
            D    1   1.00
                  0.68815941916D-01      1.0000000
            F    1   1.00
                  2.1000000              1.0000000
            F    1   1.00
                  0.4180600              1.0000000
            ****
            
            -RB     0
            RB-ECP     3     28
            f potential
              1
            2      3.8431140            -12.3169000
            s-f potential
              3
            2      5.0365510             89.5001980
            2      1.9708490              0.4937610
            2      3.8431140             12.3169000
            p-f potential
              3
            2      4.2583410             58.5689740
            2      1.4707090              0.4317910
            2      3.8431140             12.3169000
            d-f potential
              3
            2      3.0231270             26.2248980
            2      0.6503830              0.9628390
            2      3.8431140             12.3169000
            -SR     0
            SR-ECP     3     28
            f potential
              1
            2      4.6339750            -15.8059920
            s-f potential
              3
            2      7.4000740            135.4794300
            2      3.6063790             17.5344630
            2      4.6339750             15.8059920
            p-f potential
              3
            2      6.4848680             88.3597090
            2      3.2880530             15.3943720
            2      4.6339750             15.8059920
            d-f potential
              3
            2      4.6228410             29.8889870
            2      2.2469040              6.6594140
            2      4.6339750             15.8059920
            -Y     0
            Y-ECP     3     28
            f potential
              2
            2      6.5842120            -19.12219811
            2      3.2921060             -2.43637543
            s-f potential
              4
            2      7.4880494            135.15384412
            2      3.7440247             15.55244130
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            p-f potential
              4
            2      6.4453772             87.78499167
            2      3.2226886             11.56406599
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            d-f potential
              4
            2      4.6584472             29.70100072
            2      2.3292236              5.53996847
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            -ZR     0
            ZR-ECP     3     28
            f potential
              2
            2      7.5400000            -21.09377605
            2      3.7700000             -3.08069427
            s-f potential
              4
            2      8.2000000            150.26759106
            2      4.0897278             18.97621650
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            p-f potential
              4
            2      7.1100000             99.62212372
            2      3.5967980             14.16873329
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            d-f potential
              4
            2      5.3500000             35.04512355
            2      2.4918215              6.11125948
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            -NB     0
            NB-ECP     3     28
            f potential
              2
            2      8.4900000            -22.92954996
            2      4.2500000             -3.66630986
            s-f potential
              4
            2      8.9000000            165.17914349
            2      4.4300000             21.99297437
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            p-f potential
              4
            2      7.7700000            111.79441445
            2      3.9600000             16.63348326
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            d-f potential
              4
            2      6.0500000             38.11224880
            2      2.8400000              8.03916727
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            -MO     0
            MO-ECP     3     28
            f potential
              2
            2      9.4500000            -24.80517707
            2      4.7200000             -4.15378155
            s-f potential
              4
            2      9.7145938            180.10310850
            2      4.6805004             24.99722791
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            p-f potential
              4
            2      8.1421366            123.77275231
            2      4.6259863             19.53022800
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            d-f potential
              4
            2      6.6184148             48.37502229
            2      3.2487516              8.89205274
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            -TC     0
            TC-ECP     3     28
            f potential
              2
            2     10.4000000            -26.56244747
            2      5.2000000             -4.58568054
            s-f potential
              4
            2     10.4223462            195.15916591
            2      5.0365160             28.09260333
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            p-f potential
              4
            2      8.9504494            135.28456622
            2      4.8544394             21.80650430
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            d-f potential
              4
            2      6.9456968             54.32972942
            2      3.9705849             11.15506795
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            -RU     0
            RU-ECP     3     28
            f potential
              2
            2     11.3600000            -28.34061627
            2      5.6800000             -4.94462923
            s-f potential
              4
            2     11.1052693            209.82297122
            2      5.4147454             30.65472642
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            p-f potential
              4
            2      9.7712707            146.33618228
            2      5.0739908             24.12787723
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            d-f potential
              4
            2      7.6714231             67.51589667
            2      4.1365647              9.87010415
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            -RH     0
            RH-ECP     3     28
            f potential
              2
            2     12.3100000            -30.09345572
            2      6.1600000             -5.21848192
            s-f potential
              4
            2     11.7200000            225.34775353
            2      5.8200000             32.82318898
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            p-f potential
              4
            2     10.4200000            158.70941159
            2      5.4500000             26.44410049
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            d-f potential
              4
            2      8.8200000             62.75862572
            2      3.8700000             10.97871947
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            -PD     0
            PD-ECP     3     28
            f potential
              2
            2     13.2700000            -31.92955431
            2      6.6300000             -5.39821694
            s-f potential
              4
            2     12.4300000            240.22904033
            2      6.1707594             35.17194347
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            p-f potential
              4
            2     11.0800000            170.41727605
            2      5.8295541             28.47213287
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            d-f potential
              4
            2      9.5100000             69.01384488
            2      4.1397811             11.75086158
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            -AG     0
            AG-ECP     3     28
            f potential
              2
            2     14.2200000            -33.68992012
            2      7.1100000             -5.53112021
            s-f potential
              4
            2     13.1300000            255.13936452
            2      6.5100000             36.86612154
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            p-f potential
              4
            2     11.7400000            182.18186871
            2      6.2000000             30.35775148
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            d-f potential
              4
            2     10.2100000             73.71926087
            2      4.3800000             12.50211712
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            -CD     0
            CD-ECP     3     28
            f potential
              2
            2     15.1847957            -35.47662555
            2      7.5923978             -5.61767685
            s-f potential
              4
            2     13.8358689            270.00948324
            2      6.8572704             38.76730798
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            p-f potential
              4
            2     12.4049710            193.82962939
            2      6.5677995             31.89652523
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            d-f potential
              4
            2     10.8969253             79.19364700
            2      4.6411649             13.23082674
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            -IN     0
            IN-ECP     3     28
            f potential
              2
            2     12.53905600           -13.72807800
            2     12.55256100           -18.20686600
            s-f potential
              4
            2     15.39282200           281.12235000
            2      8.05586400            61.90147000
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            p-f potential
              6
            2     13.92867200            67.46215400
            2     13.34723400           134.94925000
            2      7.61413200            14.74614000
            2      7.31836500            29.63926200
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            d-f potential
              6
            2     14.03471500            35.49325400
            2     14.51161600            53.17877300
            2      5.55055000             9.17728100
            2      5.05941500            12.39241000
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            -SN     0
            SN-ECP     3     28
            f potential
              2
            2     12.28234800           -12.57633300
            2     12.27215000           -16.59594400
            s-f potential
              4
            2     17.42041400           279.98868200
            2      7.63115500            62.37781000
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            p-f potential
              6
            2     16.13102400            66.16252300
            2     15.62807700           132.17439600
            2      7.32560800            16.33941700
            2      6.94251900            32.48895900
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            d-f potential
              6
            2     15.51497600            36.38744100
            2     15.18816000            54.50784100
            2      5.45602400             8.69682300
            2      5.36310500            12.84020800
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            -SB     0
            SB-ECP     3     28
            f potential
              2
            2     14.44497800           -15.36680100
            2     14.44929500           -20.29613800
            s-f potential
              4
            2     16.33086500           281.07158100
            2      8.55654200            61.71660400
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            p-f potential
              6
            2     14.47033700            67.45738000
            2     13.81619400           134.93350300
            2      8.42492400            14.71634400
            2      8.09272800            29.51851200
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            d-f potential
              6
            2     14.88633100            35.44781500
            2     15.14631900            53.14346600
            2      5.90826700             9.17922300
            2      5.59432200            13.24025300
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            -TE     0
            TE-ECP     3     28
            f potential
              2
            2     15.20616800           -15.74545000
            2     15.20170200           -20.74244800
            s-f potential
              4
            2     16.81447300           281.04584300
            2      8.79352600            61.62065600
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            p-f potential
              6
            2     14.87780100            67.44946400
            2     14.26973100           134.90430400
            2      8.72443500            14.68954700
            2      8.29151500            29.41506300
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            d-f potential
              6
            2     15.20500800            35.43205700
            2     15.22584800            53.13568700
            2      6.07176900             9.06980200
            2      5.80476000            13.12230400
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            -I     0
            I-ECP     3     28
            f potential
              4
            2     19.45860900           -21.84204000
            2     19.34926000           -28.46819100
            2      4.82376700            -0.24371300
            2      4.88431500            -0.32080400
            s-f potential
              7
            2     40.01583500            49.99429300
            2     17.42974700           281.02531700
            2      9.00548400            61.57332600
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            p-f potential
              8
            2     15.35546600            67.44284100
            2     14.97183300           134.88113700
            2      8.96016400            14.67505100
            2      8.25909600            29.37566600
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            d-f potential
              10
            2     15.06890800            35.43952900
            2     14.55532200            53.17605700
            2      6.71864700             9.06719500
            2      6.45639300            13.20693700
            2      1.19177900             0.08933500
            2      1.29115700             0.05238000
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            -XE     0
            XE-ECP     3     28
            f potential
              4
            2     20.88155700           -23.08929500
            2     20.78344300           -30.07447500
            2      5.25338900            -0.28822700
            2      5.36118800            -0.38692400
            s-f potential
              7
            2     40.00518400            49.99796200
            2     17.81221400           281.01330300
            2      9.30415000            61.53825500
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            p-f potential
              8
            2     15.70177200            67.43914200
            2     15.25860800           134.87471100
            2      9.29218400            14.66330000
            2      8.55900300            29.35473000
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            d-f potential
              10
            2     15.18560000            35.43690800
            2     14.28450000            53.19577200
            2      7.12188900             9.04623200
            2      6.99196300            13.22368100
            2      0.62394600             0.08485300
            2      0.64728400             0.04415500
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            -CS     0
            CS-ECP     3     46
            f potential
              1
            2      3.1232690            -28.8843090
            s-f potential
              3
            2      4.0797500             84.5477300
            2      2.4174060             16.6541730
            2      3.1232690             28.8843090
            p-f potential
              3
            2      5.5140800            157.0490590
            2      2.1603160             26.4233070
            2      3.1232690             28.8843090
            d-f potential
              3
            2      1.8074100             13.1727530
            2      0.8581820              3.3428330
            2      3.1232690             28.8843090
            -BA     0
            BA-ECP     3     46
            f potential
              1
            2      3.5894650            -33.4731740
            s-f potential
              3
            2      9.5269860            427.8458160
            2      4.4875100            204.4175300
            2      3.5894650             33.4731740
            p-f potential
              3
            2      8.3159300            293.6058640
            2      4.2922170            294.1933160
            2      3.5894650             33.4731740
            d-f potential
              3
            2      5.9161080            112.5504020
            2      2.8748420            181.7826210
            2      3.5894650             33.4731740
            -LA     0
            LA-ECP     3     46
            f potential
              1
            2      4.0286000            -36.0100160
            s-f potential
              3
            2      3.3099000             91.9321770
            2      1.6550000             -3.7887640
            2      4.0286000             36.0100160
            p-f potential
              3
            2      2.8368000             63.7594860
            2      1.4184000             -0.6479580
            2      4.0286000             36.0100160
            d-f potential
              3
            2      2.0213000             36.1161730
            2      1.0107000              0.2191140
            2      4.0286000             36.0100160
            -HF     0
            HF-ECP     3     60
            f potential
              1
            2      1.78576984            10.04672251
            s-f potential
              3
            2     14.76995900          1499.28471073
            2      7.38497940            40.28210136
            2      1.78576984           -10.04672251
            p-f potential
              3
            2      9.84948950           397.73300533
            2      4.92474450            19.31640586
            2      1.78576984           -10.04672251
            d-f potential
              3
            2      6.09675640           101.32980526
            2      3.04837820             5.87343821
            2      1.78576984           -10.04672251
            -TA     0
            TA-ECP     3     60
            f potential
              1
            2      2.01788111            12.01796094
            s-f potential
              3
            2     14.54640770          1345.88064703
            2      7.27320380            36.76680620
            2      2.01788111           -12.01796094
            p-f potential
              3
            2      9.93556529           378.42530145
            2      4.96778243            22.29309086
            2      2.01788111           -12.01796094
            d-f potential
              3
            2      6.34737691           104.88395571
            2      3.17368846             8.75584805
            2      2.01788111           -12.01796094
            -W     0
            W-ECP     3     60
            f potential
              1
            2      2.25888846            14.15257947
            s-f potential
              3
            2     14.32285640          1192.39588226
            2      7.16142810            32.52293315
            2      2.25888846           -14.15257947
            p-f potential
              3
            2     10.02164110           359.03196711
            2      5.01082040            24.03038019
            2      2.25888846           -14.15257947
            d-f potential
              3
            2      6.59799743           108.30134897
            2      3.29899871            10.98252827
            2      2.25888846           -14.15257947
            -RE     0
            RE-ECP     3     60
            f potential
              1
            2      2.50865059            16.44985227
            s-f potential
              3
            2     14.09930510          1038.95157226
            2      7.04965250            29.56173830
            2      2.50865059           -16.44985227
            p-f potential
              3
            2     10.10771690           339.54350965
            2      5.05385830            24.91369646
            2      2.50865059           -16.44985227
            d-f potential
              3
            2      6.84861794           111.69965275
            2      3.42430897            12.62432927
            2      2.50865059           -16.44985227
            -OS     0
            OS-ECP     3     60
            f potential
              1
            2      2.76707510            18.90945701
            s-f potential
              3
            2     13.87575390           885.40571914
            2      6.93787690            25.96704014
            2      2.76707510           -18.90945701
            p-f potential
              3
            2     10.19379260           320.08390185
            2      5.09689620            26.14876493
            2      2.76707510           -18.90945701
            d-f potential
              3
            2      7.09923846           115.04484313
            2      3.54961923            13.62257457
            2      2.76707510           -18.90945701
            -IR     0
            IR-ECP     3     60
            f potential
              1
            2      3.03407192            21.53103107
            s-f potential
              3
            2     13.65220260           732.26919978
            2      6.82610130            26.48472087
            2      3.03407192           -21.53103107
            p-f potential
              3
            2     10.27986840           299.48947357
            2      5.13993410            26.46623354
            2      3.03407192           -21.53103107
            d-f potential
              3
            2      7.34985897           124.45759451
            2      3.67492949            14.03599518
            2      3.03407192           -21.53103107
            -PT     0
            PT-ECP     3     60
            f potential
              1
            2      3.30956857            24.31437573
            s-f potential
              3
            2     13.42865130           579.22386092
            2      6.71432560            29.66949062
            2      3.30956857           -24.31437573
            p-f potential
              3
            2     10.36594420           280.86077422
            2      5.18297210            26.74538204
            2      3.30956857           -24.31437573
            d-f potential
              3
            2      7.60047949           120.39644429
            2      3.80023974            15.81092058
            2      3.30956857           -24.31437573
            -AU     0
            AU-ECP     3     60
            f potential
              2
            2      4.78982000            30.49008890
            2      2.39491000             5.17107381
            s-f potential
              4
            2     13.20510000           426.84667920
            2      6.60255000            37.00708285
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            p-f potential
              4
            2     10.45202000           261.19958038
            2      5.22601000            26.96249604
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            d-f potential
              4
            2      7.85110000           124.79066561
            2      3.92555000            16.30072573
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            -HG     0
            HG-ECP     3     60
            f potential
              1
            2      3.88579112            30.36499643
            s-f potential
              3
            2     12.98154870           275.73721174
            2      6.49077440            49.08921249
            2      3.88579112           -30.36499643
            p-f potential
              3
            2     10.53809580           241.54007398
            2      5.26904790            27.39659081
            2      3.88579112           -30.36499643
            d-f potential
              3
            2      8.10172051           127.86700761
            2      4.05086026            16.60831151
            2      3.88579112           -30.36499643
            -TL     0
            TL-ECP     3     60
            f potential
              4
            2      5.62639900            15.82548800
            2      5.54895200            21.10402100
            2      2.87494600             2.91512700
            2      2.82145100             3.89690300
            s-f potential
              6
            2     12.16780500           281.28466300
            2      8.29490900            62.43425100
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            p-f potential
              8
            2      7.15149200             4.63340800
            2      5.17286500             9.34175600
            2      9.89107200            72.29925300
            2      9.00339100           144.55803700
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            d-f potential
              8
            2      7.13021800            35.94303900
            2      6.92690600            53.90959300
            2      5.41757000            10.38193900
            2      5.13868100            15.58382200
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            -PB     0
            PB-ECP     3     60
            f potential
              2
            2      3.88751200            12.20989200
            2      3.81196300            16.19029100
            s-f potential
              4
            2     12.29630300           281.28549900
            2      8.63263400            62.52021700
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            p-f potential
              6
            2     10.24179000            72.27689700
            2      8.92417600           144.59108300
            2      6.58134200             4.75869300
            2      6.25540300             9.94062100
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            d-f potential
              6
            2      7.75433600            35.84850700
            2      7.72028100            53.72434200
            2      4.97026400            10.11525600
            2      4.56378900            14.83373100
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            -BI     0
            BI-ECP     3     60
            f potential
              2
            2      4.21454600            13.71338300
            2      4.13340000            18.19430800
            s-f potential
              4
            2     13.04309000           283.26422700
            2      8.22168200            62.47195900
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            p-f potential
              6
            2     10.46777700            72.00149900
            2      9.11890100           144.00227700
            2      6.75479100             5.00794500
            2      6.25259200             9.99155000
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            d-f potential
              6
            2      8.08147400            36.39625900
            2      7.89059500            54.59766400
            2      4.95555600             9.98429400
            2      4.70455900            14.98148500
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            -PO     0
            PO-ECP     3     60
            f potential
              4
            2      5.01327000            17.42829500
            2      4.98464000            23.38035300
            2      1.32676000             0.16339200
            2      1.52875800             0.32456600
            s-f potential
              6
            2     13.27722700           283.24470600
            2      8.39951800            62.39646100
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            p-f potential
              8
            2     10.66568200            71.99171600
            2      9.28375300           143.97187100
            2      6.87274900             4.94961500
            2      6.32615000             9.74049900
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            d-f potential
              8
            2      8.21486600            36.37838300
            2      8.00869600            54.56271500
            2      5.05522700             9.88949900
            2      4.78255300            14.69387700
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            -AT     0
            AT-ECP     3     60
            f potential
              4
            2      5.81216300            19.87019800
            2      5.75371500            26.41645200
            2      2.51347200             0.99497000
            2      2.53626100             1.49070100
            s-f potential
              7
            2     30.20083200            49.95715800
            2     13.61230600           283.21037100
            2      8.52934000            62.28105200
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            p-f potential
              8
            2     10.85406500            71.98237100
            2      9.46822900           143.90353200
            2      7.03111400             4.87175900
            2      6.14385800             8.98305900
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            d-f potential
              8
            2      8.31351500            36.36323700
            2      7.99896500            54.54897000
            2      5.17996600             9.77628500
            2      4.94222600            14.26475500
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            -RN     0
            RN-ECP     3     60
            f potential
              4
            2      6.34857100            21.79729000
            2      6.29594900            28.94680500
            2      2.88211800             1.44736500
            2      2.90804800             2.17796400
            s-f potential
              7
            2     30.15124200            49.96555100
            2     14.52124100           283.07000000
            2      8.05203800            62.00287000
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            p-f potential
              8
            2     11.00994200            71.96911900
            2      9.61762500           143.86055900
            2      7.33600800             4.71476100
            2      6.40625300             9.01306500
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            d-f potential
              8
            2      8.36922000            36.36836500
            2      8.11697500            54.55176100
            2      5.35365600             9.63448700
            2      5.09721200            14.38790200
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/B3LYPDBJ_def2SVPD/18_methylcyclopentanone_Boat_STD/Gau-25061.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/B3LYPDBJ_def2SVPD/18_methylcyclopentanone_Boat_STD/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=     25066.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                16-Jul-2021 
 ******************************************
 %NoSave
 %nproc=8
 Will use up to    8 processors via shared memory.
 %mem=42GB
 %chk=18_methylcyclopentanone_Boat_STD_B3LYPDBJ-def2SVPDr
 ----------------------------------------------------------------------
 #P B3LYP/Gen EmpiricalDispersion=GD3BJ Integral=UltraFineGrid SCF=(NoS
 ymm,MaxCyc=120) Polar=ROA Guess=Read Geom=Check CPHF=RdFreq
 ----------------------------------------------------------------------
 1/29=2,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,74=-5,75=-5,116=-2,124=41/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Fri Jul 16 13:10:02 2021, MaxMem=  5637144576 cpu:               1.5 elap:               0.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 -----------------
 ROA calculations.
 -----------------
 Structure from the checkpoint file:  "18_methylcyclopentanone_Boat_STD_B3LYPDBJ-def2SVPDr.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                 0.633721000000      1.221277000000     -0.338752000000
  C                                                 1.202323000000     -0.162379000000     -0.033480000000
  C                                                 0.137211000000     -0.968205000000      0.702463000000
  C                                                -1.174040000000     -0.198817000000      0.488459000000
  C                                                -0.703929000000      1.273985000000      0.406927000000
  O                                                 2.304239000000     -0.549644000000     -0.325314000000
  H                                                 0.503664000000      1.289578000000     -1.422345000000
  H                                                 1.346883000000      1.995992000000     -0.058182000000
  H                                                 0.420796000000     -0.975077000000      1.760549000000
  H                                                 0.126808000000     -2.003965000000      0.363566000000
  H                                                -1.851041000000     -0.333959000000      1.333578000000
  C                                                -1.889774000000     -0.644315000000     -0.786475000000
  H                                                -0.549986000000      1.664030000000      1.415809000000
  H                                                -1.441119000000      1.913307000000     -0.079228000000
  H                                                -1.248924000000     -0.537622000000     -1.665524000000
  H                                                -2.789893000000     -0.050884000000     -0.957715000000
  H                                                -2.184175000000     -1.693520000000     -0.722841000000
 Recover connectivity data from disk.
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 NAtoms=     17 NQM=       17 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          12          12          12          12          16           1           1           1           1
 AtmWgt=  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  15.9949146   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           0           0           0           0           0           0           1           1           1           1
 AtZEff=   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   5.6000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   8.0000000   1.0000000   1.0000000   1.0000000   1.0000000

  Atom        11          12          13          14          15          16          17
 IAtWgt=           1          12           1           1           1           1           1
 AtmWgt=   1.0078250  12.0000000   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           1           0           1           1           1           1           1
 AtZEff=   1.0000000   3.6000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   0.0000000   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   6.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 Using perturbation frequencies:    0.093368
 Leave Link  101 at Fri Jul 16 13:10:03 2021, MaxMem=  5637144576 cpu:               1.6 elap:               0.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        0.633721    1.221277   -0.338752
      2          6           0        1.202323   -0.162379   -0.033480
      3          6           0        0.137211   -0.968205    0.702463
      4          6           0       -1.174040   -0.198817    0.488459
      5          6           0       -0.703929    1.273985    0.406927
      6          8           0        2.304239   -0.549644   -0.325314
      7          1           0        0.503664    1.289578   -1.422345
      8          1           0        1.346883    1.995992   -0.058182
      9          1           0        0.420796   -0.975077    1.760549
     10          1           0        0.126808   -2.003965    0.363566
     11          1           0       -1.851041   -0.333959    1.333578
     12          6           0       -1.889774   -0.644315   -0.786475
     13          1           0       -0.549986    1.664030    1.415809
     14          1           0       -1.441119    1.913307   -0.079228
     15          1           0       -1.248924   -0.537622   -1.665524
     16          1           0       -2.789893   -0.050884   -0.957715
     17          1           0       -2.184175   -1.693520   -0.722841
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  C    1.526762   0.000000
     3  C    2.474769   1.524936   0.000000
     4  C    2.443142   2.433280   1.535296   0.000000
     5  C    1.532359   2.427117   2.412939   1.548159   0.000000
     6  O    2.434537   1.203894   2.434652   3.589391   3.593171
     7  H    1.093505   2.127263   3.121967   2.946385   2.191976
     8  H    1.089726   2.163348   3.290646   3.386895   2.223387
     9  H    3.045714   2.118915   1.095451   2.182726   2.855797
    10  H    3.339521   2.169290   1.089843   2.228534   3.381858
    11  H    3.374832   3.349824   2.180303   1.091247   2.181750
    12  C    3.170003   3.218746   2.535845   1.528463   2.551531
    13  H    2.162331   2.916641   2.812430   2.172469   1.092555
    14  H    2.202548   3.361302   3.377170   2.203331   1.090196
    15  H    2.898000   2.968668   2.777433   2.181751   2.806064
    16  H    3.704408   4.099321   3.487923   2.173542   2.822901
    17  H    4.072359   3.779944   2.818937   2.172961   3.503368
                    6          7          8          9         10
     6  O    0.000000
     7  H    2.797907   0.000000
     8  H    2.732792   1.752421   0.000000
     9  H    2.842389   3.907217   3.604535   0.000000
    10  H    2.707547   3.765491   4.203107   1.759716   0.000000
    11  H    4.479374   3.971853   4.194328   2.398871   2.764368
    12  C    4.220353   3.142104   4.239998   3.454775   2.690324
    13  H    4.009796   3.050494   2.425069   2.833046   3.875494
    14  H    4.489364   2.444419   2.789307   3.897983   4.242580
    15  H    3.797535   2.543494   3.967488   3.836314   2.856573
    16  H    5.157410   3.586117   4.702316   4.307159   3.750660
    17  H    4.648907   4.075863   5.150014   3.670049   2.572411
                   11         12         13         14         15
    11  H    0.000000
    12  C    2.142999   0.000000
    13  H    2.385679   3.460281   0.000000
    14  H    2.685938   2.691267   1.758236   0.000000
    15  H    3.065720   1.093069   3.851026   2.925804   0.000000
    16  H    2.492308   1.091649   3.686696   2.539484   1.764226
    17  H    2.487618   1.091583   4.303201   3.738391   1.760524
                   16         17
    16  H    0.000000
    17  H    1.766441   0.000000
 Stoichiometry    C6H10O
 Framework group  C1[X(C6H10O)]
 Deg. of freedom    45
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 3.53D-16
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        0.633721    1.221277   -0.338752
      2          6           0        1.202323   -0.162379   -0.033480
      3          6           0        0.137211   -0.968205    0.702463
      4          6           0       -1.174040   -0.198817    0.488459
      5          6           0       -0.703929    1.273985    0.406927
      6          8           0        2.304239   -0.549644   -0.325314
      7          1           0        0.503664    1.289578   -1.422345
      8          1           0        1.346883    1.995992   -0.058182
      9          1           0        0.420796   -0.975077    1.760549
     10          1           0        0.126808   -2.003965    0.363566
     11          1           0       -1.851041   -0.333959    1.333578
     12          6           0       -1.889774   -0.644315   -0.786475
     13          1           0       -0.549986    1.664030    1.415809
     14          1           0       -1.441119    1.913307   -0.079228
     15          1           0       -1.248924   -0.537622   -1.665524
     16          1           0       -2.789893   -0.050884   -0.957715
     17          1           0       -2.184175   -1.693520   -0.722841
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           4.4282585           2.2049386           1.8432612
 Leave Link  202 at Fri Jul 16 13:10:03 2021, MaxMem=  5637144576 cpu:               0.8 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:       7      8      9     10     11     13     14     15     16     17
 S 3 1.00
     Exponent=  1.3010701000D+01 Coefficients=  1.9682158000D-02
     Exponent=  1.9622572000D+00 Coefficients=  1.3796524000D-01
     Exponent=  4.4453796000D-01 Coefficients=  4.7831935000D-01
 S 1 1.00
     Exponent=  1.2194962000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  8.0000000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.1704099050D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      2      3      4      5     12
 S 5 1.00
     Exponent=  1.2384016938D+03 Coefficients=  5.4568832082D-03
     Exponent=  1.8629004992D+02 Coefficients=  4.0638409211D-02
     Exponent=  4.2251176346D+01 Coefficients=  1.8025593888D-01
     Exponent=  1.1676557932D+01 Coefficients=  4.6315121755D-01
     Exponent=  3.5930506482D+00 Coefficients=  4.4087173314D-01
 S 1 1.00
     Exponent=  4.0245147363D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  1.3090182668D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  6.7053540256D-02 Coefficients=  1.0000000000D+00
 P 3 1.00
     Exponent=  9.4680970621D+00 Coefficients=  3.8387871728D-02
     Exponent=  2.0103545142D+00 Coefficients=  2.1117025112D-01
     Exponent=  5.4771004707D-01 Coefficients=  5.1328172114D-01
 P 1 1.00
     Exponent=  1.5268613795D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  8.0000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.1713185140D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       6
 S 5 1.00
     Exponent=  2.2661767785D+03 Coefficients= -5.3431809926D-03
     Exponent=  3.4087010191D+02 Coefficients= -3.9890039230D-02
     Exponent=  7.7363135167D+01 Coefficients= -1.7853911985D-01
     Exponent=  2.1479644940D+01 Coefficients= -4.6427684959D-01
     Exponent=  6.6589433124D+00 Coefficients= -4.4309745172D-01
 S 1 1.00
     Exponent=  8.0975975668D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.5530772234D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  7.6572453250D-02 Coefficients=  1.0000000000D+00
 P 3 1.00
     Exponent=  1.7721504317D+01 Coefficients=  4.3394573193D-02
     Exponent=  3.8635505440D+00 Coefficients=  2.3094120765D-01
     Exponent=  1.0480920883D+00 Coefficients=  5.1375311064D-01
 P 1 1.00
     Exponent=  2.7641544411D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  6.9002276350D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.2000000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.7992024323D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 There are   237 symmetry adapted cartesian basis functions of A   symmetry.
 There are   223 symmetry adapted basis functions of A   symmetry.
   223 basis functions,   327 primitive gaussians,   237 cartesian basis functions
    27 alpha electrons       27 beta electrons
       nuclear repulsion energy       309.8033475478 Hartrees.
 IExCor=  402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX=  0.200000
 ScaDFX=  0.800000  0.720000  1.000000  0.810000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=141
 NAtoms=   17 NActive=   17 NUniq=   17 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 R6Disp:  Grimme-D3(BJ) Dispersion energy=       -0.0257793054 Hartrees.
 Nuclear repulsion after empirical dispersion term =      309.7775682425 Hartrees.
 Leave Link  301 at Fri Jul 16 13:10:05 2021, MaxMem=  5637144576 cpu:               9.8 elap:               1.7
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   223 RedAO= T EigKep=  6.52D-05  NBF=   223
 NBsUse=   223 1.00D-06 EigRej= -1.00D+00 NBFU=   223
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   237   237   237   237   237 MxSgAt=    17 MxSgA2=    17.
 Leave Link  302 at Fri Jul 16 13:10:06 2021, MaxMem=  5637144576 cpu:               3.2 elap:               0.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Fri Jul 16 13:10:07 2021, MaxMem=  5637144576 cpu:               2.7 elap:               0.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "18_methylcyclopentanone_Boat_STD_B3LYPDBJ-def2SVPDr.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=    -0.000000   -0.000000    0.000000
         Rot=    1.000000    0.000000   -0.000000    0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Fri Jul 16 13:10:08 2021, MaxMem=  5637144576 cpu:               3.7 elap:               0.6
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot=  5637144576 LenX=  5637027901 LenY=  5636971291
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=F KAlg= 0 I1Cent=           0 FoldK=F
 IRaf= 990000000 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=         0 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 E= -309.703324921693    
 DIIS: error= 3.04D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -309.703324921693     IErMin= 1 ErrMin= 3.04D-03
 ErrMax= 3.04D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.67D-03 BMatP= 5.67D-03
 IDIUse=3 WtCom= 9.70D-01 WtEn= 3.04D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.219 Goal=   None    Shift=    0.000
 GapD=    0.219 DampG=1.000 DampE=1.000 DampFc=1.0000 IDamp=-1.
 RMSDP=5.42D-03 MaxDP=1.84D-01              OVMax= 1.72D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  5.37D-03    CP:  1.04D+00
 E= -309.708360455351     Delta-E=       -0.005035533658 Rises=F Damp=F
 DIIS: error= 1.22D-03 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -309.708360455351     IErMin= 2 ErrMin= 1.22D-03
 ErrMax= 1.22D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.56D-04 BMatP= 5.67D-03
 IDIUse=3 WtCom= 9.88D-01 WtEn= 1.22D-02
 Coeff-Com:  0.564D-01 0.944D+00
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:      0.557D-01 0.944D+00
 Gap=     0.222 Goal=   None    Shift=    0.000
 RMSDP=2.71D-04 MaxDP=8.94D-03 DE=-5.04D-03 OVMax= 9.09D-03

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  2.20D-04    CP:  1.04D+00  1.03D+00
 E= -309.708080097868     Delta-E=        0.000280357483 Rises=F Damp=F
 DIIS: error= 1.71D-03 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 2 EnMin= -309.708360455351     IErMin= 2 ErrMin= 1.22D-03
 ErrMax= 1.71D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.49D-04 BMatP= 2.56D-04
 IDIUse=3 WtCom= 1.95D-01 WtEn= 8.05D-01
 Coeff-Com: -0.113D-01 0.622D+00 0.390D+00
 Coeff-En:   0.000D+00 0.671D+00 0.329D+00
 Coeff:     -0.220D-02 0.662D+00 0.341D+00
 Gap=     0.220 Goal=   None    Shift=    0.000
 RMSDP=1.15D-04 MaxDP=5.55D-03 DE= 2.80D-04 OVMax= 5.89D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  7.65D-05    CP:  1.04D+00  1.03D+00  6.17D-01
 E= -309.708563533395     Delta-E=       -0.000483435527 Rises=F Damp=F
 DIIS: error= 1.91D-04 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -309.708563533395     IErMin= 4 ErrMin= 1.91D-04
 ErrMax= 1.91D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.39D-05 BMatP= 2.56D-04
 IDIUse=3 WtCom= 9.98D-01 WtEn= 1.91D-03
 Coeff-Com: -0.941D-02 0.331D+00 0.186D+00 0.492D+00
 Coeff-En:   0.000D+00 0.000D+00 0.000D+00 0.100D+01
 Coeff:     -0.939D-02 0.330D+00 0.186D+00 0.493D+00
 Gap=     0.220 Goal=   None    Shift=    0.000
 RMSDP=3.09D-05 MaxDP=9.43D-04 DE=-4.83D-04 OVMax= 7.69D-04

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  2.51D-05    CP:  1.04D+00  1.03D+00  5.48D-01  9.05D-01
 E= -309.708577588355     Delta-E=       -0.000014054959 Rises=F Damp=F
 DIIS: error= 2.76D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -309.708577588355     IErMin= 5 ErrMin= 2.76D-05
 ErrMax= 2.76D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.03D-07 BMatP= 1.39D-05
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.194D-02 0.374D-01 0.258D-01 0.136D+00 0.803D+00
 Coeff:     -0.194D-02 0.374D-01 0.258D-01 0.136D+00 0.803D+00
 Gap=     0.220 Goal=   None    Shift=    0.000
 RMSDP=9.04D-06 MaxDP=2.95D-04 DE=-1.41D-05 OVMax= 1.29D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  6.62D-06    CP:  1.04D+00  1.03D+00  5.58D-01  9.19D-01  8.53D-01
 E= -309.708577875564     Delta-E=       -0.000000287209 Rises=F Damp=F
 DIIS: error= 8.42D-06 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -309.708577875564     IErMin= 6 ErrMin= 8.42D-06
 ErrMax= 8.42D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.46D-08 BMatP= 3.03D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.369D-03-0.163D-03 0.279D-02 0.308D-01 0.343D+00 0.624D+00
 Coeff:     -0.369D-03-0.163D-03 0.279D-02 0.308D-01 0.343D+00 0.624D+00
 Gap=     0.220 Goal=   None    Shift=    0.000
 RMSDP=2.24D-06 MaxDP=4.17D-05 DE=-2.87D-07 OVMax= 3.81D-05

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  1.47D-06    CP:  1.04D+00  1.03D+00  5.60D-01  9.18D-01  8.80D-01
                    CP:  7.80D-01
 E= -309.708577906236     Delta-E=       -0.000000030672 Rises=F Damp=F
 DIIS: error= 2.40D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -309.708577906236     IErMin= 7 ErrMin= 2.40D-06
 ErrMax= 2.40D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.59D-09 BMatP= 3.46D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.909D-04-0.159D-02 0.253D-03 0.751D-02 0.121D+00 0.301D+00
 Coeff-Com:  0.572D+00
 Coeff:     -0.909D-04-0.159D-02 0.253D-03 0.751D-02 0.121D+00 0.301D+00
 Coeff:      0.572D+00
 Gap=     0.220 Goal=   None    Shift=    0.000
 RMSDP=5.35D-07 MaxDP=1.41D-05 DE=-3.07D-08 OVMax= 1.16D-05

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  4.17D-07    CP:  1.04D+00  1.03D+00  5.59D-01  9.18D-01  8.87D-01
                    CP:  7.67D-01  8.26D-01
 E= -309.708577908887     Delta-E=       -0.000000002651 Rises=F Damp=F
 DIIS: error= 3.49D-07 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -309.708577908887     IErMin= 8 ErrMin= 3.49D-07
 ErrMax= 3.49D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.37D-11 BMatP= 2.59D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.301D-05-0.488D-03-0.120D-03-0.470D-03 0.869D-02 0.381D-01
 Coeff-Com:  0.166D+00 0.789D+00
 Coeff:      0.301D-05-0.488D-03-0.120D-03-0.470D-03 0.869D-02 0.381D-01
 Coeff:      0.166D+00 0.789D+00
 Gap=     0.220 Goal=   None    Shift=    0.000
 RMSDP=1.17D-07 MaxDP=2.25D-06 DE=-2.65D-09 OVMax= 2.09D-06

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  8.69D-08    CP:  1.04D+00  1.03D+00  5.59D-01  9.18D-01  8.88D-01
                    CP:  7.75D-01  8.38D-01  8.70D-01
 E= -309.708577908940     Delta-E=       -0.000000000053 Rises=F Damp=F
 DIIS: error= 9.69D-08 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -309.708577908940     IErMin= 9 ErrMin= 9.69D-08
 ErrMax= 9.69D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.07D-12 BMatP= 6.37D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.501D-05-0.127D-03-0.427D-04-0.533D-03-0.162D-02 0.251D-02
 Coeff-Com:  0.429D-01 0.328D+00 0.629D+00
 Coeff:      0.501D-05-0.127D-03-0.427D-04-0.533D-03-0.162D-02 0.251D-02
 Coeff:      0.429D-01 0.328D+00 0.629D+00
 Gap=     0.220 Goal=   None    Shift=    0.000
 RMSDP=3.32D-08 MaxDP=6.89D-07 DE=-5.32D-11 OVMax= 4.91D-07

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  1.77D-08    CP:  1.04D+00  1.03D+00  5.59D-01  9.18D-01  8.87D-01
                    CP:  7.75D-01  8.43D-01  8.85D-01  7.02D-01
 E= -309.708577908945     Delta-E=       -0.000000000005 Rises=F Damp=F
 DIIS: error= 2.13D-08 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin=10 EnMin= -309.708577908945     IErMin=10 ErrMin= 2.13D-08
 ErrMax= 2.13D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.86D-13 BMatP= 6.07D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.150D-05-0.253D-04-0.358D-05-0.163D-03-0.792D-03-0.426D-03
 Coeff-Com:  0.801D-02 0.798D-01 0.202D+00 0.711D+00
 Coeff:      0.150D-05-0.253D-04-0.358D-05-0.163D-03-0.792D-03-0.426D-03
 Coeff:      0.801D-02 0.798D-01 0.202D+00 0.711D+00
 Gap=     0.220 Goal=   None    Shift=    0.000
 RMSDP=4.34D-09 MaxDP=1.33D-07 DE=-4.55D-12 OVMax= 8.39D-08

 SCF Done:  E(RB3LYP) =  -309.708577909     A.U. after   10 cycles
            NFock= 10  Conv=0.43D-08     -V/T= 2.0113
 KE= 3.062337763495D+02 PE=-1.337873074906D+03 EE= 4.121531524051D+02
 Leave Link  502 at Fri Jul 16 13:10:58 2021, MaxMem=  5637144576 cpu:             396.2 elap:              50.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   223
 NBasis=   223 NAE=    27 NBE=    27 NFC=     0 NFV=     0
 NROrb=    223 NOA=    27 NOB=    27 NVA=   196 NVB=   196

 **** Warning!!: The largest alpha MO coefficient is  0.26308453D+02

 Leave Link  801 at Fri Jul 16 13:10:59 2021, MaxMem=  5637144576 cpu:               0.6 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
         5137 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=    5637144576 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.093368
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          17
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=F KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 8.82D-14 8.33D-09 XBig12= 1.00D+00 5.00D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 8.82D-14 8.33D-09 XBig12= 2.82D-01 1.35D-01.
     11 vectors produced by pass  2 Test12= 8.82D-14 8.33D-09 XBig12= 3.01D-02 2.02D-02.
     11 vectors produced by pass  3 Test12= 8.82D-14 8.33D-09 XBig12= 1.41D-03 7.01D-03.
     11 vectors produced by pass  4 Test12= 8.82D-14 8.33D-09 XBig12= 4.16D-05 1.30D-03.
     11 vectors produced by pass  5 Test12= 8.82D-14 8.33D-09 XBig12= 9.22D-07 1.47D-04.
     11 vectors produced by pass  6 Test12= 8.82D-14 8.33D-09 XBig12= 1.31D-08 1.95D-05.
     11 vectors produced by pass  7 Test12= 8.82D-14 8.33D-09 XBig12= 9.82D-11 1.78D-06.
      9 vectors produced by pass  8 Test12= 8.82D-14 8.33D-09 XBig12= 5.20D-13 1.31D-07.
      1 vectors produced by pass  9 Test12= 8.82D-14 8.33D-09 XBig12= 2.86D-15 9.43D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 2.13D-14
 Solved reduced A of dimension    98 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.093368:
                1             2             3 
      1  0.813220D+02
      2 -0.967824D+00  0.744172D+02
      3 -0.153717D+01 -0.162384D+01  0.657236D+02
 Isotropic polarizability for W=    0.093368       73.82 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.093368:
                 1             2             3 
      1  -0.196064D+02 -0.168776D+02 -0.253837D+02
      2   0.104243D+02  0.154016D+02  0.951942D+01
      3   0.918217D+01  0.147604D+01  0.158643D+02
      4  -0.863832D+01 -0.286573D+02 -0.840739D+01
      5  -0.218268D+02 -0.617195D+01 -0.385888D+02
      6   0.892468D-01  0.221179D+01  0.536366D+01
 Dipole-magnetic dipole polarizability for W=    0.093368:
                 1             2             3 
      1   0.312597D+01  0.175895D+00 -0.198438D+01
      2  -0.949190D+01 -0.322244D+01 -0.177742D+02
      3   0.542517D+01  0.136517D+02  0.285669D+01
 DQ contribution to OR G for W=    0.093368:
                 1             2             3 
      1   0.223544D+01 -0.730763D+01 -0.388763D+01
      2  -0.355694D+01 -0.849663D+01 -0.477710D+02
      3   0.823927D+01  0.390815D+02  0.626120D+01
 Optical Rotation G' tensor for W=    0.093368:
                 1             2             3 
      1   0.375983D+00  0.970929D+00 -0.316240D+00
      2   0.970929D+00  0.867169D+00 -0.555684D-01
      3  -0.316240D+00 -0.555684D-01  0.151706D+01
 OR G Eigenvalues:    -0.4044     1.3422     1.8225  Iso=    -0.9201
 Eigenvectors:
   (1)   0.792086  -0.599856   0.113014
   (2)   0.320480   0.566249   0.759378
   (3)  -0.519512  -0.565274   0.640760
 w=    0.093368 a.u., Optical Rotation Beta=     -0.9201 au.
 Molar Mass =     98.1444 grams/mole, [Alpha] ( 4880.0 A) =     -528.40 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=   24976 ScalPx= 2.31D+01
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   24976 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 8.63D+02
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 1.47D-14 2.78D-09 XBig12= 1.00D+00 3.70D-01.
     30 vectors produced by pass  1 Test12= 1.47D-14 2.78D-09 XBig12= 4.27D-02 6.62D-02.
     30 vectors produced by pass  2 Test12= 1.47D-14 2.78D-09 XBig12= 7.15D-04 4.97D-03.
     30 vectors produced by pass  3 Test12= 1.47D-14 2.78D-09 XBig12= 7.78D-06 3.85D-04.
     30 vectors produced by pass  4 Test12= 1.47D-14 2.78D-09 XBig12= 3.89D-08 2.16D-05.
     30 vectors produced by pass  5 Test12= 1.47D-14 2.78D-09 XBig12= 9.69D-11 1.20D-06.
     26 vectors produced by pass  6 Test12= 1.47D-14 2.78D-09 XBig12= 1.37D-13 4.22D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 3.22D-15
 Solved reduced A of dimension   206 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   24976 ScalPx= 8.98D+02
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   24976 ScalPx= 8.98D+02
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   24976 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 5.68D+02
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.093368
 Property number 1 -- Alpha(-w,w) frequency  1    0.093368:
                 1             2             3 
      1   0.813220D+02 -0.967824D+00 -0.153717D+01
      2  -0.967824D+00  0.744172D+02 -0.162384D+01
      3  -0.153717D+01 -0.162384D+01  0.657236D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.093368:
                 1             2             3 
      1   0.312597D+01  0.175895D+00 -0.198438D+01
      2  -0.949190D+01 -0.322244D+01 -0.177742D+02
      3   0.542517D+01  0.136517D+02  0.285669D+01
 Property number 4 -- D-Q polarizability frequency  1    0.093368:
                 1             2             3 
      1  -0.196064D+02 -0.168776D+02 -0.253837D+02
      2   0.104243D+02  0.154016D+02  0.951942D+01
      3   0.918217D+01  0.147604D+01  0.158643D+02
      4  -0.863832D+01 -0.286573D+02 -0.840739D+01
      5  -0.218268D+02 -0.617195D+01 -0.385888D+02
      6   0.892468D-01  0.221179D+01  0.536366D+01
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    51 ND12= 1 LenFil=    1839:
 Frequencies=    0.093368
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1  -0.586273D-01 -0.224665D+01 -0.125651D+01 -0.199903D+01 -0.368360D+01
      2  -0.224665D+01 -0.528095D+01  0.480888D+00 -0.368360D+01 -0.559782D+00
      3  -0.125651D+01  0.480888D+00  0.394799D+00  0.604248D-01 -0.879459D+00
                 6             7             8             9            10 
      1   0.604248D-01 -0.115874D+01 -0.125023D+01  0.819747D+00 -0.630266D+01
      2  -0.879459D+00 -0.125023D+01 -0.246681D-01 -0.114951D+01  0.395022D+01
      3  -0.419398D+00  0.819747D+00 -0.114951D+01  0.524684D+01  0.113560D+01
                11            12            13            14            15 
      1   0.395022D+01  0.113560D+01  0.315972D+01  0.673467D+00 -0.772576D+00
      2   0.356048D+01 -0.225612D+01  0.673467D+00 -0.263100D+01  0.457478D+00
      3  -0.225612D+01  0.491787D+00 -0.772576D+00  0.457478D+00  0.443646D+00
                16            17            18            19            20 
      1   0.160435D+01 -0.923271D+00 -0.427457D+00  0.109773D+01 -0.281056D+01
      2  -0.923271D+00 -0.814914D+00  0.720553D+00 -0.281056D+01 -0.120705D+01
      3  -0.427457D+00  0.720553D+00 -0.346689D-01  0.112519D+01  0.103325D+01
                21            22            23            24            25 
      1   0.112519D+01 -0.183661D+01  0.146485D-01  0.221186D+00 -0.110714D+01
      2   0.103325D+01  0.146485D-01  0.694741D+01  0.121405D+01  0.351279D+00
      3  -0.265714D+01  0.221186D+00  0.121405D+01 -0.191278D+00 -0.168144D+01
                26            27            28            29            30 
      1   0.351279D+00 -0.168144D+01 -0.121679D+01  0.231888D+01 -0.218629D+01
      2   0.230970D+01  0.487400D+00  0.231888D+01 -0.300773D+01  0.980447D+00
      3   0.487400D+00 -0.574783D+01 -0.218629D+01  0.980447D+00  0.413985D+01
                31            32            33            34            35 
      1   0.186519D+01 -0.211555D+01  0.813371D+00 -0.198449D+01  0.651947D+00
      2  -0.211555D+01 -0.488530D+01 -0.863859D+00  0.651947D+00  0.521928D+00
      3   0.813371D+00 -0.863859D+00  0.177646D+01  0.485241D+01  0.192055D+01
                36            37            38            39            40 
      1   0.485241D+01  0.549508D+00 -0.177131D+01  0.243536D+01 -0.705719D+00
      2   0.192055D+01 -0.177131D+01  0.331500D+01 -0.100990D+01  0.353422D+01
      3  -0.636029D+00  0.243536D+01 -0.100990D+01 -0.125390D+01 -0.138556D+01
                41            42            43            44            45 
      1   0.353422D+01 -0.138556D+01  0.260063D+01 -0.202744D+01 -0.973283D+00
      2   0.210094D+01  0.126294D+00 -0.202744D+01 -0.177223D+00 -0.353593D+01
      3   0.126294D+00 -0.235417D+01 -0.973283D+00 -0.353593D+01 -0.496847D+01
                46            47            48            49            50 
      1   0.154269D+02 -0.364464D+01 -0.208974D+01 -0.322408D+01  0.372121D+01
      2  -0.364464D+01  0.153379D+01  0.977759D+00  0.372121D+01 -0.232251D+01
      3  -0.208974D+01  0.977759D+00  0.172203D+01  0.751988D+00 -0.108610D+01
                51            52            53            54            55 
      1   0.751988D+00 -0.225226D+01  0.695615D+00  0.382715D+01 -0.654349D+00
      2  -0.108610D+01  0.695615D+00 -0.432501D+00 -0.148148D+01  0.543682D+00
      3  -0.821060D+00  0.382715D+01 -0.148148D+01 -0.196267D+01 -0.964971D+00
                56            57            58            59            60 
      1   0.543682D+00 -0.964971D+00  0.150447D+00  0.233088D+00  0.103291D+00
      2   0.553945D+00 -0.633196D-01  0.233088D+00  0.943052D+00 -0.104350D+01
      3  -0.633196D-01 -0.342467D+00  0.103291D+00 -0.104350D+01  0.590945D+00
                61            62            63            64            65 
      1  -0.159068D+01  0.321334D+00 -0.109244D+00  0.427155D+01  0.330494D+01
      2   0.321334D+00 -0.226215D+01  0.226188D+01  0.330494D+01  0.449517D+01
      3  -0.109244D+00  0.226188D+01 -0.814867D+01  0.283624D+00 -0.734805D-02
                66            67            68            69            70 
      1   0.283624D+00  0.277121D+01  0.304152D+01  0.755038D-01  0.107979D+01
      2  -0.734805D-02  0.304152D+01  0.612477D+01  0.507019D+00  0.912837D+00
      3   0.634823D+00  0.755038D-01  0.507019D+00  0.914231D+00  0.531059D+00
                71            72            73            74            75 
      1   0.912837D+00  0.531059D+00  0.760743D+00  0.488814D-01  0.140980D+01
      2   0.121633D+01  0.129390D+01  0.488814D-01  0.607056D+00 -0.772958D+00
      3   0.129390D+01 -0.233727D-01  0.140980D+01 -0.772958D+00  0.210059D+01
                76            77            78            79            80 
      1   0.456982D+00  0.933707D-01 -0.117780D+00  0.235127D+01 -0.284544D+00
      2   0.933707D-01 -0.106427D+01  0.116111D+01 -0.284544D+00  0.147194D+01
      3  -0.117780D+00  0.116111D+01 -0.347334D+00  0.142647D+01 -0.187549D+01
                81            82            83            84            85 
      1   0.142647D+01 -0.100653D+00 -0.994911D+00 -0.452252D+00 -0.164345D+01
      2  -0.187549D+01 -0.994911D+00  0.435068D+00 -0.230541D+00 -0.322713D-01
      3   0.953118D+01 -0.452252D+00 -0.230541D+00  0.256812D+00 -0.788639D-01
                86            87            88            89            90 
      1  -0.322713D-01 -0.788639D-01 -0.536675D+00  0.138155D+00  0.393972D-01
      2  -0.952045D+01 -0.327842D+00  0.138155D+00 -0.250337D+01 -0.129379D+01
      3  -0.327842D+00 -0.121704D+01  0.393972D-01 -0.129379D+01  0.225506D+00
                91            92            93            94            95 
      1  -0.499871D+01 -0.101672D+01  0.293790D+01 -0.732302D+00 -0.795477D+00
      2  -0.101672D+01 -0.713994D+00  0.189028D+00 -0.795477D+00 -0.763502D-01
      3   0.293790D+01  0.189028D+00 -0.354160D+01  0.154227D+00  0.106448D+01
                96            97            98            99           100 
      1   0.154227D+00  0.332482D+01  0.403472D+00 -0.362276D+01  0.359481D+01
      2   0.106448D+01  0.403472D+00  0.976053D+00 -0.807016D+00 -0.265124D+01
      3  -0.798659D+00 -0.362276D+01 -0.807016D+00  0.546772D+01  0.191542D+01
               101           102           103           104           105 
      1  -0.265124D+01  0.191542D+01 -0.331368D+01  0.412555D+01 -0.122844D+01
      2   0.297046D+01 -0.109208D+01  0.412555D+01  0.604160D+01  0.745333D+00
      3  -0.109208D+01 -0.348931D+01 -0.122844D+01  0.745333D+00 -0.148760D+01
               106           107           108           109           110 
      1   0.140920D+01 -0.121391D+01 -0.392279D+01  0.496595D+00  0.775355D+00
      2  -0.121391D+01 -0.651609D+00 -0.148576D+01  0.775355D+00  0.512859D-01
      3  -0.392279D+01 -0.148576D+01  0.132551D+01  0.788444D+00  0.368040D+00
               111           112           113           114           115 
      1   0.788444D+00  0.691566D+00 -0.285427D+00  0.561365D-01  0.117345D+01
      2   0.368040D+00 -0.285427D+00  0.224906D+01  0.218525D+01  0.428892D+00
      3   0.744588D+00  0.561365D-01  0.218525D+01  0.236755D+01  0.700168D-01
               116           117           118           119           120 
      1   0.428892D+00  0.700168D-01 -0.468060D+01  0.307437D+01 -0.122304D+01
      2   0.308620D+01  0.366783D+01  0.307437D+01 -0.367427D+01  0.673109D+00
      3   0.366783D+01  0.756373D+01 -0.122304D+01  0.673109D+00 -0.915144D+00
               121           122           123           124           125 
      1   0.245364D+01 -0.287694D+01  0.597034D+00 -0.190997D+01  0.123825D+01
      2  -0.287694D+01  0.430564D+01 -0.821392D+00  0.123825D+01 -0.184529D+01
      3   0.597034D+00 -0.821392D+00  0.118908D+01 -0.105264D+01  0.161909D+01
               126           127           128           129           130 
      1  -0.105264D+01  0.196032D+01  0.562407D+00 -0.132979D+01  0.601004D+00
      2   0.161909D+01  0.562407D+00  0.521574D+00  0.322505D+00  0.692764D-02
      3  -0.616137D+00 -0.132979D+01  0.322505D+00  0.296401D+01  0.105857D+00
               131           132           133           134           135 
      1   0.692764D-02  0.105857D+00 -0.190278D+01 -0.643832D-01  0.136137D+01
      2  -0.480065D+00 -0.832094D+00 -0.643832D-01 -0.977887D+00 -0.117775D+00
      3  -0.832094D+00  0.417264D+00  0.136137D+01 -0.117775D+00 -0.602405D+01
               136           137           138           139           140 
      1  -0.800285D+01  0.211846D+01 -0.212349D+01  0.382820D+01 -0.225692D+01
      2   0.211846D+01 -0.204061D+01  0.469059D+00 -0.225692D+01  0.138978D+01
      3  -0.212349D+01  0.469059D+00 -0.125535D+01  0.123740D+01 -0.578595D+00
               141           142           143           144           145 
      1   0.123740D+01 -0.123644D+01  0.533236D+00 -0.106495D+01 -0.214288D+01
      2  -0.578595D+00  0.533236D+00 -0.122348D+00  0.636998D+00 -0.156117D+01
      3   0.131045D+01 -0.106495D+01  0.636998D+00 -0.100135D+01 -0.405266D+00
               146           147           148           149           150 
      1  -0.156117D+01 -0.405266D+00 -0.252310D+01 -0.339782D+01 -0.593201D+00
      2  -0.211924D+01 -0.618238D-01 -0.339782D+01 -0.856252D+01 -0.102817D+01
      3  -0.618238D-01  0.563989D-02 -0.593201D+00 -0.102817D+01 -0.137309D+01
               151           152           153 
      1   0.135678D+00  0.887653D-01 -0.730542D-01
      2   0.887653D-01  0.229807D+00 -0.861451D+00
      3  -0.730542D-01 -0.861451D+00 -0.197235D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1   0.535935D+01  0.472709D+01 -0.175771D+01  0.196380D+01  0.306320D+01
      2  -0.987135D+00 -0.149180D+01  0.131900D+01 -0.189135D+01 -0.336109D+01
      3   0.462483D+01  0.496349D+00 -0.460005D+01  0.636898D+01 -0.432336D+01
                 6             7             8             9            10 
      1  -0.441912D+01 -0.458830D+01  0.553745D+01 -0.766844D+01 -0.359665D+01
      2  -0.107413D+01 -0.321910D+01 -0.306271D+01  0.815564D+01 -0.389725D+01
      3  -0.294848D+00 -0.350805D+01 -0.360247D+01  0.436194D+01  0.171511D+01
                11            12            13            14            15 
      1   0.827062D+01 -0.326602D+01  0.586047D+01  0.534377D+01  0.481625D+00
      2  -0.802036D+01 -0.544481D+01 -0.434697D+01  0.478796D-01  0.220777D+01
      3  -0.349571D+01  0.448239D+01  0.630566D+00 -0.132217D+01 -0.186538D+01
                16            17            18            19            20 
      1   0.265522D+01  0.175608D+02 -0.674488D+01 -0.516388D+00 -0.241356D+00
      2  -0.123701D+02 -0.192707D+01  0.662584D+01 -0.422628D+01  0.469144D+01
      3   0.246149D+01 -0.536827D+01 -0.621539D-02 -0.495487D+00  0.363869D+01
                21            22            23            24            25 
      1  -0.520928D+01  0.124717D+01  0.953963D+01 -0.277192D+01 -0.670512D+00
      2   0.133641D+01  0.393533D+01 -0.841164D+00  0.259520D+01 -0.467782D+01
      3  -0.234321D+01  0.819278D+01 -0.625347D+01  0.108371D+01 -0.122445D+01
                26            27            28            29            30 
      1   0.584832D+01 -0.841219D+01  0.156416D+01 -0.190815D+01  0.996735D+00
      2   0.116338D+01 -0.219836D+01  0.859107D+01 -0.204613D+01 -0.161432D+01
      3   0.801063D+00  0.168382D+01  0.496129D+01 -0.910827D+01  0.175142D+01
                31            32            33            34            35 
      1  -0.281425D+01 -0.323839D+01 -0.320889D+01 -0.632060D+00  0.482836D+01
      2  -0.382449D+01  0.124226D+01 -0.222535D+01 -0.909611D+01 -0.420023D+01
      3  -0.284447D+01 -0.688531D+01  0.325984D-02  0.923941D+00 -0.109004D+00
                36            37            38            39            40 
      1   0.467046D+00 -0.411020D+01  0.540735D+01  0.187565D+01  0.576656D+01
      2   0.473841D+00 -0.684189D+01  0.371227D+01  0.191785D+01  0.266569D+01
      3   0.122490D+01 -0.514947D+01 -0.128680D+01  0.321996D+01  0.507167D+01
                41            42            43            44            45 
      1   0.279138D+01  0.204979D+01  0.171851D+01  0.962432D+01  0.494547D+01
      2  -0.240397D+01  0.258841D+01 -0.436541D+01  0.512458D+01  0.414322D+01
      3   0.857517D+01 -0.176437D+01  0.329955D+01 -0.358389D+01 -0.394473D+01
                46            47            48            49            50 
      1   0.171316D+01 -0.520101D+01  0.398043D+01 -0.175873D+01  0.101576D-01
      2  -0.977548D+00  0.174778D+01  0.129827D+02  0.158223D+01 -0.128917D+01
      3  -0.199576D+01 -0.125813D+02 -0.189028D+00 -0.875276D+00  0.622781D+01
                51            52            53            54            55 
      1  -0.279558D+01 -0.668140D+00 -0.325204D+01  0.137432D+01  0.132272D+00
      2  -0.392925D+01  0.433138D+01  0.123406D+00 -0.608042D+01 -0.197022D+01
      3   0.860236D+00  0.169312D+01  0.416562D+01  0.391718D+00 -0.185268D+01
                56            57            58            59            60 
      1   0.102014D+01  0.796507D+00  0.146357D+01  0.956710D-01 -0.675507D+00
      2   0.240084D+00 -0.372749D-01 -0.145860D+00 -0.600393D+00  0.938985D-02
      3  -0.114221D+01 -0.614504D+00  0.520835D+00  0.768719D+00  0.277836D+00
                61            62            63            64            65 
      1   0.980834D+00 -0.280809D+01  0.146874D+02 -0.172706D+01 -0.587529D+01
      2  -0.331278D+01  0.308992D+01 -0.967318D+01  0.220634D+01  0.245446D+01
      3  -0.281876D+01  0.317552D+01 -0.242034D+01  0.404223D+01 -0.398533D+00
                66            67            68            69            70 
      1  -0.149464D+01 -0.249309D+01 -0.460908D+01 -0.281666D+01 -0.145942D+01
      2   0.228748D+01  0.191697D+01  0.340282D+01  0.150421D+01  0.260400D+00
      3   0.601423D+00  0.453191D+01 -0.152376D+00 -0.411862D+00  0.163365D+01
                71            72            73            74            75 
      1  -0.200330D+01 -0.617775D+00 -0.241057D+00 -0.127757D+01  0.455467D+01
      2   0.182109D+01  0.195049D+00  0.105170D+01  0.288401D-02 -0.677924D+00
      3  -0.760965D-01 -0.194055D+00 -0.136961D+00 -0.179378D+01 -0.145328D+01
                76            77            78            79            80 
      1  -0.130607D+01  0.130718D+00  0.299441D+00  0.107531D+01 -0.511982D+00
      2  -0.742138D+00  0.109925D+00  0.737435D-02 -0.388765D+01  0.446919D+00
      3   0.386201D+00  0.212812D+00 -0.430311D-01 -0.265418D+01  0.300073D+00
                81            82            83            84            85 
      1   0.123816D+02  0.446629D-01  0.153471D+00 -0.532802D+00 -0.165928D+01
      2   0.798688D+00 -0.102408D+01 -0.635381D-01  0.169463D+01  0.148416D+01
      3  -0.233708D+01  0.424727D+00 -0.124196D+01  0.925408D+00  0.566527D+01
                86            87            88            89            90 
      1  -0.118002D+02 -0.363746D+01 -0.478109D+00 -0.333295D+01 -0.146348D+01
      2   0.248867D+00 -0.671948D+00 -0.237542D+00  0.431661D-01 -0.352285D+00
      3   0.295656D+01 -0.919441D-01  0.199379D+01  0.114359D+01  0.204013D+00
                91            92            93            94            95 
      1  -0.632811D+00 -0.167642D+01 -0.696581D+00 -0.368959D+00  0.125905D+00
      2   0.411927D+00  0.371871D+00  0.446853D+01  0.463844D+00 -0.934324D+00
      3   0.321302D+00 -0.267619D+01 -0.716357D+00  0.511073D+00 -0.319077D-01
                96            97            98            99           100 
      1  -0.275609D+00  0.396410D+00  0.272891D+01 -0.554586D-02  0.503170D+01
      2   0.145661D+01  0.231763D+00  0.929020D+00 -0.565566D+01 -0.134204D+00
      3   0.145083D+01 -0.102170D+01  0.284865D+01 -0.187511D+00 -0.949911D+01
               101           102           103           104           105 
      1  -0.469952D+01 -0.254021D+01 -0.698609D+01 -0.695744D+01 -0.472864D+01
      2   0.128740D+00  0.142417D+02  0.259937D+00  0.276017D+01  0.203104D+01
      3   0.741140D+01 -0.430442D+01  0.142474D+02  0.107974D+02  0.230007D+01
               106           107           108           109           110 
      1  -0.159675D+01  0.330845D+00  0.362316D+01  0.234826D+00 -0.748751D+00
      2   0.797860D+01  0.222258D+01 -0.749921D+01 -0.870700D+00 -0.106532D+01
      3  -0.399301D+01  0.468201D+00 -0.479121D+00  0.190077D+01  0.170059D+00
               111           112           113           114           115 
      1  -0.820525D+00 -0.321438D+00 -0.125846D+01 -0.356802D+01 -0.824291D-01
      2  -0.131051D-01 -0.137182D+01 -0.148117D+01 -0.197768D+01 -0.315015D+01
      3   0.127211D+01  0.209925D+01  0.630114D+00  0.208820D+01  0.300571D+01
               116           117           118           119           120 
      1  -0.626686D+00 -0.101225D+02  0.265844D+01 -0.196800D+01  0.267743D+01
      2  -0.302479D+01 -0.613969D+01  0.337074D+01 -0.246033D+01  0.319097D+01
      3   0.309292D+01  0.255278D+01 -0.575984D+01 -0.115661D+01 -0.120889D+01
               121           122           123           124           125 
      1  -0.235109D+01  0.278496D+01 -0.381475D+01  0.167969D+01 -0.171039D+01
      2  -0.157064D+01  0.227854D+01 -0.230044D+01  0.101367D+01 -0.246904D+01
      3   0.358224D+01 -0.124526D+00  0.890962D-01 -0.300650D+01 -0.108346D+01
               126           127           128           129           130 
      1   0.223070D+01 -0.247308D+01 -0.177989D+01  0.257874D+01 -0.509116D+00
      2   0.182073D+01  0.724146D+01  0.780229D+00 -0.695766D+01  0.127512D+01
      3   0.110409D+00 -0.922308D+00 -0.491608D+00  0.142245D+01  0.533131D+00
               131           132           133           134           135 
      1  -0.591834D+00  0.331444D+00  0.207228D+01  0.318730D+01 -0.487098D+01
      2   0.191545D+01 -0.768071D+00 -0.863618D+01 -0.363518D+00  0.138897D+02
      3  -0.690832D+00 -0.145505D+01  0.124085D+01 -0.123463D+01 -0.131533D+01
               136           137           138           139           140 
      1  -0.416580D+01  0.336023D+01 -0.743781D+00  0.280526D+01 -0.228187D+01
      2  -0.249715D+01  0.109014D+01  0.349574D+01  0.119295D+01 -0.651131D+00
      3   0.928914D+01 -0.884877D+01  0.248601D+01 -0.582528D+01  0.576609D+01
               141           142           143           144           145 
      1   0.128312D+00 -0.117193D+01  0.166129D+01 -0.127442D+01  0.724479D+00
      2  -0.294982D+01 -0.629394D+00 -0.108426D+01  0.185377D+01 -0.215705D+00
      3  -0.166413D+01  0.223663D+01 -0.115905D+01  0.231824D+01 -0.984377D+00
               146           147           148           149           150 
      1   0.243706D+01 -0.398625D+00  0.223023D+01  0.766406D+01 -0.344108D+01
      2  -0.884613D+00  0.672692D+00 -0.882958D+00 -0.443497D+00  0.349668D+01
      3  -0.470199D+01  0.809640D-01 -0.213517D+01 -0.166343D+02 -0.133137D+01
               151           152           153 
      1   0.286009D+00  0.145098D+00  0.658090D+00
      2  -0.894628D+00  0.165116D+01  0.411020D+00
      3  -0.262096D+00  0.221233D+00 -0.196344D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1   0.274005D+00  0.219151D+01  0.693509D+00 -0.400685D+01 -0.490618D+01
      2  -0.536044D+01 -0.166507D+02  0.749165D+00 -0.740860D+01  0.371172D+00
      3   0.508644D+01  0.144592D+02 -0.144267D+01  0.114155D+02  0.453501D+01
      4  -0.742552D+01 -0.155142D+02 -0.335681D+01 -0.696094D+01 -0.164434D+02
      5  -0.868723D-01 -0.235162D+01  0.330968D+00 -0.183184D+01 -0.181324D+01
      6  -0.395757D+01 -0.679767D+00  0.314285D+01 -0.227366D+01 -0.430932D+01
                 6             7             8             9            10 
      1   0.211314D+01  0.527152D+01 -0.507495D+01  0.114675D+02 -0.412263D+02
      2  -0.370138D+01 -0.322931D+01 -0.564895D+01  0.399979D+01  0.209846D+02
      3   0.158824D+01 -0.204221D+01  0.107239D+02 -0.154673D+02  0.202416D+02
      4  -0.156806D+01 -0.771039D+01 -0.175894D+00 -0.374746D+01  0.179013D+02
      5  -0.124532D+01 -0.398689D+00 -0.124177D+01  0.441728D+01  0.958048D+01
      6   0.359958D+01  0.337691D+01 -0.420978D+01  0.165501D+02 -0.465205D+01
                11            12            13            14            15 
      1   0.671740D+01  0.141473D+01  0.159596D+02  0.179541D+00 -0.502159D+01
      2   0.279364D+01 -0.571308D+01 -0.995755D+01 -0.197996D+01  0.200749D+01
      3  -0.951104D+01  0.429835D+01 -0.600200D+01  0.180041D+01  0.301410D+01
      4  -0.111260D+02 -0.284278D+01 -0.195599D+01  0.257051D+01  0.123353D+01
      5  -0.195162D+01 -0.105875D+02 -0.246912D+01  0.205219D+01  0.478472D+01
      6   0.705251D+01  0.350227D+01  0.240074D+01  0.744971D+00 -0.364497D+01
                16            17            18            19            20 
      1   0.108614D+02 -0.424752D+01 -0.695492D+01 -0.183192D+01 -0.334045D+01
      2  -0.531397D+01  0.233681D+01 -0.130049D+01  0.371677D+01  0.186019D+01
      3  -0.554746D+01  0.191072D+01  0.825541D+01 -0.188485D+01  0.148027D+01
      4  -0.214031D+01  0.580287D+01  0.304282D+01  0.299739D+00  0.193613D+01
      5   0.189930D+01  0.113651D+01  0.742664D+01 -0.497915D+01 -0.807358D+00
      6   0.188091D+01  0.376876D+00  0.298039D+00 -0.325997D+01 -0.331150D+01
                21            22            23            24            25 
      1   0.598290D+01  0.459981D+01  0.791352D+01  0.310988D+01  0.407667D-01
      2   0.342116D+01 -0.394125D+01 -0.208245D+02 -0.308444D+01  0.189221D+01
      3  -0.940406D+01 -0.658558D+00  0.129109D+02 -0.254332D-01 -0.193298D+01
      4  -0.113875D+00 -0.417187D+00  0.314118D+01 -0.449498D+00 -0.835636D+00
      5   0.342581D+00 -0.130407D+01 -0.237906D+00  0.372211D+01  0.340340D+01
      6   0.596979D+01  0.516908D+00 -0.385901D+01  0.354072D+01  0.137479D+01
                26            27            28            29            30 
      1   0.101433D+01  0.199337D+02  0.141304D+00 -0.422628D+01  0.630776D+01
      2  -0.874856D+01  0.488449D+01  0.370895D+01  0.151402D+01 -0.536507D+01
      3   0.773423D+01 -0.248182D+02 -0.385025D+01  0.271226D+01 -0.942691D+00
      4  -0.204810D+01  0.351062D+01 -0.439461D+01  0.260409D+01 -0.172094D+01
      5   0.290325D+01 -0.110823D+02  0.139671D+02  0.114638D+01 -0.185416D+02
      6   0.231293D+00  0.122041D+02  0.243311D+01 -0.156826D+01 -0.465089D+01
                31            32            33            34            35 
      1  -0.744029D+01  0.681943D+01 -0.356279D+01  0.184700D+01 -0.375366D+01
      2   0.512569D+01 -0.328666D+01  0.228803D+01 -0.538743D+01  0.911539D+00
      3   0.231460D+01 -0.353278D+01  0.127476D+01  0.354043D+01  0.284212D+01
      4   0.484283D+01  0.748004D+01  0.870212D+00 -0.509668D+01 -0.258519D+01
      5  -0.879565D+00  0.129234D+01 -0.565597D+01 -0.219371D+02 -0.749970D+01
      6   0.107038D+01 -0.826580D+00 -0.179223D+01 -0.509538D+01 -0.757797D-01
                36            37            38            39            40 
      1  -0.167396D+02 -0.295783D+01  0.221295D+01 -0.512747D+00  0.340708D+01
      2   0.136293D+02 -0.459446D+01  0.936943D+01 -0.137402D+01  0.750367D+01
      3   0.311030D+01  0.755229D+01 -0.115824D+02  0.188677D+01 -0.109108D+02
      4  -0.905443D+01  0.532326D+01 -0.135842D+02  0.820923D+01 -0.112859D+02
      5   0.115764D+02 -0.713052D+01  0.356366D+01  0.156572D+01  0.122374D+01
      6   0.177624D+01  0.542763D+01 -0.450130D+01 -0.332176D+01 -0.403730D+01
                41            42            43            44            45 
      1  -0.528529D+01  0.624499D+01 -0.113392D+01  0.102277D+02  0.151101D+02
      2   0.647999D+01  0.186951D+01 -0.205823D+01  0.272063D+01 -0.568141D+01
      3  -0.119471D+01 -0.811450D+01  0.319214D+01 -0.129483D+02 -0.942873D+01
      4   0.731213D+01 -0.310196D+01  0.128174D+02 -0.232918D+01  0.737083D+01
      5  -0.248686D+01  0.185208D+01  0.289091D+01  0.472068D+01  0.234776D+01
      6   0.159320D+01 -0.998776D+01 -0.605090D+00 -0.120213D+02 -0.204409D+02
                46            47            48            49            50 
      1   0.863054D+02 -0.129712D+02 -0.633440D+01 -0.142678D+02  0.989160D+01
      2  -0.452873D+02  0.312622D+01  0.600699D+01  0.471754D+01  0.434870D-01
      3  -0.410181D+02  0.984501D+01  0.327412D+00  0.955023D+01 -0.993508D+01
      4  -0.259409D+02  0.229598D+02  0.450426D+01  0.238918D+02 -0.156823D+02
      5  -0.116714D+02  0.313784D+01  0.215902D+02  0.435061D+01 -0.416020D+01
      6   0.789960D+01 -0.441204D+01 -0.551046D+01 -0.450463D+01  0.432456D+01
                51            52            53            54            55 
      1   0.178993D+01 -0.807622D+01  0.209152D+01  0.107325D+02 -0.250861D+01
      2  -0.107962D+01  0.662809D+01 -0.295452D-01 -0.108326D+02 -0.603377D+00
      3  -0.710306D+00  0.144813D+01 -0.206198D+01  0.100027D+00  0.311199D+01
      4  -0.519958D+01  0.573226D+01 -0.543940D+01 -0.747173D+01  0.336707D+00
      5  -0.653277D+01  0.230455D+02 -0.676526D+01 -0.122129D+02 -0.377009D+00
      6   0.704108D+01 -0.596389D+01  0.790514D+01  0.398856D+01 -0.269211D+01
                56            57            58            59            60 
      1   0.706998D+00 -0.161194D+01  0.834492D-01 -0.494673D+01  0.332814D+01
      2   0.827257D+00  0.486066D+00  0.787760D+00  0.388850D+01 -0.392069D+01
      3  -0.153426D+01  0.112588D+01 -0.871209D+00  0.105824D+01  0.592551D+00
      4   0.481176D+01 -0.240372D+01  0.215395D+01  0.280298D+01 -0.102826D+01
      5  -0.115485D+01  0.504139D+01  0.453173D+00 -0.426278D+00 -0.375004D+00
      6  -0.173962D+00 -0.181139D+01 -0.139942D+00 -0.461020D+01  0.683313D+01
                61            62            63            64            65 
      1  -0.343778D+01  0.950711D+01 -0.201235D+02  0.815270D+01 -0.775481D-01
      2   0.152073D+01 -0.303883D+01 -0.866128D+01  0.486768D+01  0.129811D+02
      3   0.191706D+01 -0.646828D+01  0.287848D+02 -0.130204D+02 -0.129035D+02
      4  -0.265530D+01 -0.328889D+01  0.491693D+01  0.210962D+02  0.242624D+02
      5   0.475136D+01  0.216964D+01 -0.786628D+01  0.122387D+01  0.732050D+00
      6  -0.241030D+00  0.122635D+02 -0.248351D+02  0.118483D+01  0.669443D+00
                66            67            68            69            70 
      1   0.371390D+00 -0.554709D+00 -0.915228D+01  0.128128D+00  0.727955D+00
      2   0.113416D+00  0.108100D+02  0.264699D+02  0.166835D+01  0.968258D+00
      3  -0.484806D+00 -0.102553D+02 -0.173176D+02 -0.179648D+01 -0.169621D+01
      4   0.109690D+01  0.170925D+02  0.246965D+02  0.162518D+01  0.490628D+01
      5   0.393591D+01  0.842618D+00  0.241135D+01  0.217350D+01  0.358759D+01
      6   0.303359D+01  0.398368D+00  0.141875D+01  0.509346D+01  0.335750D+01
                71            72            73            74            75 
      1  -0.209531D+00 -0.301438D+01  0.194962D+00  0.248353D+01 -0.413096D+01
      2   0.492258D+01  0.263714D+01 -0.417469D+01 -0.486752D+00 -0.324272D+01
      3  -0.471305D+01  0.377237D+00  0.397973D+01 -0.199678D+01  0.737368D+01
      4   0.456580D+01  0.548574D+01 -0.160649D+01  0.328344D+01 -0.409901D+01
      5   0.426437D+01  0.157911D+01  0.544378D+01 -0.247425D+01  0.980905D+01
      6   0.749544D+01  0.368260D+00 -0.282031D+01  0.318990D+01 -0.540643D+01
                76            77            78            79            80 
      1   0.159668D+00 -0.645609D+01  0.257298D+01 -0.163745D+01  0.716661D+01
      2   0.566086D+00  0.401553D+01 -0.357932D+01 -0.247965D+01 -0.502215D+00
      3  -0.725754D+00  0.244056D+01  0.100634D+01  0.411710D+01 -0.666440D+01
      4   0.125278D+01 -0.531393D+00  0.135096D+01 -0.400763D+01  0.205336D+01
      5   0.327305D+00  0.156722D+01 -0.173497D+00  0.631801D+01 -0.245753D+01
      6   0.140778D+01 -0.383595D+01  0.698309D+01 -0.281752D+01  0.101932D+02
                81            82            83            84            85 
      1  -0.275489D+02  0.141921D+00  0.501901D+00 -0.111337D+01 -0.132788D+01
      2  -0.141070D+02  0.310467D+01 -0.114530D+01  0.581883D+00  0.135972D+01
      3   0.416559D+02 -0.324659D+01  0.643396D+00  0.531486D+00 -0.318397D-01
      4  -0.346448D+01 -0.192416D+00  0.854159D+01  0.533892D+00  0.652257D+01
      5   0.119859D+02 -0.683800D+00 -0.117114D+01  0.193147D+01 -0.267555D+00
      6  -0.211965D+02  0.700744D+00  0.490295D+00 -0.293613D+00  0.560665D+00
                86            87            88            89            90 
      1  -0.248690D+02  0.594977D+00 -0.273868D+00 -0.342082D+01 -0.580303D+01
      2   0.443365D+02  0.189783D+01  0.701478D-01  0.858229D+01  0.378302D+01
      3  -0.194676D+02 -0.249281D+01  0.203720D+00 -0.516147D+01  0.202001D+01
      4  -0.167702D+01  0.587552D-01  0.230663D+01 -0.134106D+01 -0.267436D+00
      5   0.310163D+00 -0.569415D+00  0.814800D+00 -0.188831D+00  0.777749D+00
      6  -0.368718D+01  0.612109D+01  0.171913D+00  0.662695D+01  0.497774D+00
                91            92            93            94            95 
      1   0.175836D+02  0.247592D+01 -0.844979D+01  0.249572D+01  0.266593D+00
      2  -0.154413D+02 -0.207999D+01  0.101205D+02 -0.158024D+01 -0.745660D-01
      3  -0.214230D+01 -0.395929D+00 -0.167070D+01 -0.915481D+00 -0.192027D+00
      4   0.537684D+01  0.512743D+01 -0.212947D+01  0.572536D+01  0.135011D+01
      5  -0.212153D+02 -0.237544D+01  0.210742D+02 -0.209296D+01 -0.561273D+01
      6  -0.285174D+01 -0.242765D+01  0.352967D+01 -0.293541D+01 -0.205025D+01
                96            97            98            99           100 
      1  -0.763906D-01 -0.715622D+01 -0.122962D+00  0.263692D+01 -0.194233D+02
      2   0.131250D+00  0.119966D+02  0.125131D+01 -0.161702D+02  0.123235D+02
      3  -0.548592D-01 -0.484041D+01 -0.112835D+01  0.135333D+02  0.709979D+01
      4  -0.418396D+01 -0.248413D+01 -0.338499D+01  0.321812D+01  0.117851D+02
      5   0.330722D+01  0.218623D+02  0.365467D+01 -0.274111D+02 -0.117736D+02
      6   0.576233D+01  0.298572D+01  0.488000D+01 -0.529980D+01  0.340859D+01
               101           102           103           104           105 
      1   0.163031D+02 -0.169990D+02  0.214854D+02 -0.109186D+02  0.484643D+01
      2  -0.148060D+02  0.647430D-01 -0.196056D+02 -0.101348D+02 -0.597879D+01
      3  -0.149705D+01  0.169342D+02 -0.187978D+01  0.210534D+02  0.113236D+01
      4  -0.118708D+02  0.289324D+01 -0.175353D+02 -0.275517D+02 -0.227721D+01
      5   0.736114D+01  0.825974D+01  0.920439D+01 -0.480087D+01  0.585712D+01
      6  -0.355999D+01  0.631536D+01 -0.490583D+01 -0.562799D+01  0.253578D+01
               106           107           108           109           110 
      1  -0.128026D+02  0.448458D+01  0.188534D+02 -0.144707D+01 -0.280996D+01
      2   0.314405D+00 -0.405383D+01 -0.464831D+01  0.268750D+00  0.105858D+01
      3   0.124882D+02 -0.430751D+00 -0.142051D+02  0.117832D+01  0.175138D+01
      4   0.472560D+01  0.198254D+01  0.106959D+02 -0.405888D+00  0.491895D+01
      5   0.956180D+01  0.656536D+01  0.253077D+01  0.507042D+00  0.187288D+01
      6   0.674578D+01  0.169563D+01  0.227758D+00  0.359557D+01  0.238156D+01
               111           112           113           114           115 
      1  -0.266777D+01 -0.687052D+00 -0.960742D+01 -0.904231D+01 -0.209653D+01
      2   0.125010D+01 -0.607181D+00  0.857081D+01  0.597767D+01  0.117409D+01
      3   0.141767D+01  0.129423D+01  0.103661D+01  0.306464D+01  0.922444D+00
      4   0.259885D+01  0.430631D+01 -0.351008D+01 -0.221903D+01  0.321961D+01
      5   0.495912D+01  0.114527D+01 -0.183286D+01 -0.197139D+01  0.431113D+01
      6   0.332703D+01  0.519670D+00  0.124472D+02  0.146374D+02 -0.460949D+00
               116           117           118           119           120 
      1  -0.132050D+02 -0.217131D+02  0.104198D+02 -0.152488D+01  0.200936D+01
      2   0.644584D+01 -0.135486D+01  0.336838D+01 -0.996311D+01  0.804500D+00
      3   0.675915D+01  0.230680D+02 -0.137882D+02  0.114880D+02 -0.281386D+01
      4  -0.469975D+01 -0.553991D+01 -0.215182D+02  0.202157D+02 -0.534444D+01
      5  -0.415290D+01 -0.734273D+01  0.392240D+01 -0.212172D+01  0.438589D+01
      6   0.188871D+02  0.301227D+02 -0.352505D+01  0.188284D+01 -0.368192D+01
               121           122           123           124           125 
      1  -0.119279D+01 -0.405526D+01 -0.233427D-01  0.218646D+01  0.627423D+00
      2  -0.896419D+01  0.175001D+02 -0.359662D+01  0.156527D+01 -0.652165D+01
      3   0.101570D+02 -0.134448D+02  0.361996D+01 -0.375173D+01  0.589422D+01
      4   0.169122D+02 -0.198900D+02  0.410075D+01 -0.866670D+01  0.824256D+01
      5  -0.180721D+01  0.231384D+01 -0.263169D+01  0.510673D+01 -0.420195D+01
      6   0.183973D+01 -0.360087D+01  0.618523D+01 -0.407907D+01  0.745598D+01
               126           127           128           129           130 
      1  -0.173341D+01 -0.527705D+01 -0.122401D+01  0.110190D+02 -0.289425D+01
      2   0.258090D+01 -0.620664D+00  0.853340D+00  0.170721D+01  0.232002D+01
      3  -0.847495D+00  0.589772D+01  0.370673D+00 -0.127262D+02  0.574234D+00
      4  -0.640141D+01 -0.395428D+01  0.974721D-01  0.124204D+01  0.239282D+01
      5   0.373454D+01 -0.202197D+01 -0.147470D+01 -0.271996D+01 -0.133606D+01
      6  -0.288262D+01  0.676264D+00 -0.242694D+01 -0.415804D+01 -0.826531D+00
               131           132           133           134           135 
      1  -0.204893D+01 -0.512262D+00  0.109824D+02 -0.953517D+00 -0.202216D+02
      2   0.153837D+01  0.213881D+01 -0.831752D+00  0.144318D+01 -0.884546D+01
      3   0.510563D+00 -0.162654D+01 -0.101506D+02 -0.489667D+00  0.290671D+02
      4   0.234931D+01  0.196563D+01  0.245505D+01  0.260241D+01 -0.282418D+01
      5   0.147085D+01 -0.165634D+01  0.269344D+01  0.132413D+00  0.111453D+02
      6   0.104260D+01  0.393990D+01 -0.159931D+01  0.451684D+01  0.661151D+01
               136           137           138           139           140 
      1   0.504901D+02 -0.135737D+02  0.100520D+02 -0.218540D+02  0.103117D+02
      2  -0.294918D+02  0.889292D+01 -0.798232D+01  0.129379D+02 -0.339615D+01
      3  -0.209983D+02  0.468079D+01 -0.206968D+01  0.891606D+01 -0.691551D+01
      4  -0.866787D+01  0.116820D+02 -0.163899D+01  0.124057D+02 -0.810651D+01
      5   0.199911D+02 -0.520252D+01  0.117963D+02 -0.999462D+01  0.498023D+01
      6  -0.324918D+01  0.410648D+01 -0.113642D+01  0.419025D+01 -0.317046D+01
               141           142           143           144           145 
      1  -0.437419D+01  0.639418D+01 -0.178363D+01  0.410693D+01  0.939751D+01
      2   0.454180D+01 -0.596193D+01  0.251626D+01 -0.588118D+01 -0.983913D+00
      3  -0.167609D+00 -0.432247D+00 -0.732636D+00  0.177425D+01 -0.841360D+01
      4   0.284687D+01 -0.153736D+01  0.842835D+00 -0.344714D+01  0.110193D+02
      5  -0.749491D+01  0.108677D+02 -0.469559D+01  0.644966D+01  0.376677D+01
      6   0.176702D+01 -0.165002D+01  0.199105D+01 -0.701625D+00  0.168164D+01
               146           147           148           149           150 
      1   0.486437D+01  0.191975D+01  0.668008D+01 -0.274807D+01 -0.103315D+01
      2   0.250040D+01 -0.603726D+00  0.464580D+01  0.257052D+02  0.255013D+00
      3  -0.736477D+01 -0.131603D+01 -0.113259D+02 -0.229571D+02  0.778138D+00
      4   0.160717D+02  0.947796D+00  0.219785D+02  0.407219D+02  0.443849D+01
      5   0.164743D+01  0.255031D+01  0.443589D+01  0.497277D+01  0.660955D+01
      6   0.328839D+01  0.115035D+01  0.518165D+01  0.123827D+02  0.710881D+01
               151           152           153 
      1  -0.672324D+00 -0.126510D+01 -0.280434D+01
      2   0.157217D+00 -0.150433D+01  0.215241D+01
      3   0.515107D+00  0.276943D+01  0.651930D+00
      4  -0.102866D+01 -0.799930D+00  0.397726D+01
      5   0.254385D+01  0.468881D+01  0.407009D+00
      6   0.165091D+01  0.620502D+01  0.108764D+01
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Fri Jul 16 13:20:07 2021, MaxMem=  5637144576 cpu:            4344.7 elap:             547.6
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -19.13516 -10.27729 -10.20290 -10.19561 -10.19519
 Alpha  occ. eigenvalues --  -10.19424 -10.18682  -1.03960  -0.84969  -0.74573
 Alpha  occ. eigenvalues --   -0.71410  -0.66142  -0.57026  -0.53783  -0.49954
 Alpha  occ. eigenvalues --   -0.47688  -0.45198  -0.43118  -0.42238  -0.41123
 Alpha  occ. eigenvalues --   -0.40308  -0.38607  -0.35750  -0.34664  -0.34152
 Alpha  occ. eigenvalues --   -0.33796  -0.25139
 Alpha virt. eigenvalues --   -0.03178   0.00843   0.03660   0.04081   0.04502
 Alpha virt. eigenvalues --    0.06914   0.07109   0.07987   0.08943   0.09281
 Alpha virt. eigenvalues --    0.10843   0.11795   0.12521   0.12980   0.13826
 Alpha virt. eigenvalues --    0.14785   0.15407   0.16017   0.17752   0.18571
 Alpha virt. eigenvalues --    0.19001   0.19701   0.20543   0.21585   0.22339
 Alpha virt. eigenvalues --    0.22854   0.24532   0.25821   0.27689   0.28097
 Alpha virt. eigenvalues --    0.28936   0.29556   0.30216   0.30773   0.31133
 Alpha virt. eigenvalues --    0.32540   0.33064   0.33972   0.34191   0.34881
 Alpha virt. eigenvalues --    0.35439   0.35775   0.36124   0.36680   0.37269
 Alpha virt. eigenvalues --    0.37541   0.37977   0.39187   0.39700   0.40855
 Alpha virt. eigenvalues --    0.41481   0.41983   0.42602   0.44743   0.45001
 Alpha virt. eigenvalues --    0.45070   0.45857   0.46129   0.47136   0.47792
 Alpha virt. eigenvalues --    0.48673   0.48788   0.49658   0.50270   0.51297
 Alpha virt. eigenvalues --    0.51626   0.52885   0.54058   0.54562   0.55095
 Alpha virt. eigenvalues --    0.55611   0.55958   0.56628   0.57105   0.57497
 Alpha virt. eigenvalues --    0.59153   0.59846   0.61003   0.61299   0.62858
 Alpha virt. eigenvalues --    0.64158   0.66344   0.67438   0.67609   0.68460
 Alpha virt. eigenvalues --    0.71511   0.72584   0.74451   0.75553   0.77714
 Alpha virt. eigenvalues --    0.80535   0.82626   0.84023   0.86957   0.88018
 Alpha virt. eigenvalues --    0.92209   0.92707   0.94350   0.95373   0.97495
 Alpha virt. eigenvalues --    0.98888   1.00167   1.00577   1.01004   1.01544
 Alpha virt. eigenvalues --    1.03203   1.04335   1.04703   1.06909   1.09339
 Alpha virt. eigenvalues --    1.10564   1.12479   1.14587   1.16890   1.18875
 Alpha virt. eigenvalues --    1.20074   1.25436   1.27211   1.28576   1.29140
 Alpha virt. eigenvalues --    1.31870   1.36478   1.36964   1.41176   1.43994
 Alpha virt. eigenvalues --    1.45759   1.50463   1.57420   1.60460   1.62819
 Alpha virt. eigenvalues --    1.64661   1.67346   1.71530   1.71995   1.73239
 Alpha virt. eigenvalues --    1.75759   1.76842   1.79613   1.81398   1.82591
 Alpha virt. eigenvalues --    1.83786   1.84712   1.86761   1.89115   1.89845
 Alpha virt. eigenvalues --    1.91699   1.93385   1.97999   1.98767   2.00340
 Alpha virt. eigenvalues --    2.02006   2.03507   2.06623   2.07368   2.11002
 Alpha virt. eigenvalues --    2.12140   2.14392   2.16510   2.17449   2.20158
 Alpha virt. eigenvalues --    2.22596   2.26665   2.28799   2.30713   2.34092
 Alpha virt. eigenvalues --    2.38582   2.41592   2.43917   2.47406   2.50075
 Alpha virt. eigenvalues --    2.52746   2.54608   2.57318   2.59599   2.61251
 Alpha virt. eigenvalues --    2.66213   2.68021   2.73370   2.73667   2.82110
 Alpha virt. eigenvalues --    2.86688   2.88730   2.93021   2.95819   3.01500
 Alpha virt. eigenvalues --    3.02963   3.05838   3.07483   3.12663   3.13757
 Alpha virt. eigenvalues --    3.14479   3.17892   3.22255   3.25489   3.45929
 Alpha virt. eigenvalues --    3.83050
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C    4.751553   0.327964  -0.323381   0.056958   0.314244  -0.016780
     2  C    0.327964   5.186965   0.118351   0.054585   0.015368   0.206869
     3  C   -0.323381   0.118351   4.906159   0.230263   0.003190   0.060066
     4  C    0.056958   0.054585   0.230263   5.398609   0.250339  -0.029785
     5  C    0.314244   0.015368   0.003190   0.250339   4.312356  -0.007655
     6  O   -0.016780   0.206869   0.060066  -0.029785  -0.007655   8.213440
     7  H    0.166094   0.066829  -0.009316   0.071908   0.015119  -0.026758
     8  H    0.197810   0.066311   0.020701  -0.016306  -0.013898  -0.004314
     9  H   -0.013302   0.065588   0.184068   0.033950   0.019076  -0.032579
    10  H    0.020055   0.070924   0.147633  -0.050131   0.013892  -0.015107
    11  H    0.006026   0.032839  -0.015752   0.024460   0.030743  -0.002637
    12  C    0.015615  -0.011088  -0.043292   0.468110  -0.027609  -0.001257
    13  H   -0.030496   0.008644   0.023448   0.006986   0.297670  -0.000154
    14  H    0.029414   0.008432   0.025188   0.039046   0.147852   0.001704
    15  H    0.016344   0.020517  -0.029661   0.157293  -0.027399  -0.000837
    16  H   -0.013773  -0.009066   0.029790   0.105513  -0.035252   0.000888
    17  H   -0.001461  -0.007390  -0.021685   0.117825   0.016145  -0.000306
               7          8          9         10         11         12
     1  C    0.166094   0.197810  -0.013302   0.020055   0.006026   0.015615
     2  C    0.066829   0.066311   0.065588   0.070924   0.032839  -0.011088
     3  C   -0.009316   0.020701   0.184068   0.147633  -0.015752  -0.043292
     4  C    0.071908  -0.016306   0.033950  -0.050131   0.024460   0.468110
     5  C    0.015119  -0.013898   0.019076   0.013892   0.030743  -0.027609
     6  O   -0.026758  -0.004314  -0.032579  -0.015107  -0.002637  -0.001257
     7  H    0.838377  -0.078548   0.006152  -0.005653  -0.015574   0.001128
     8  H   -0.078548   1.075276  -0.005479   0.000796   0.002039   0.001024
     9  H    0.006152  -0.005479   0.821451  -0.054896  -0.053489   0.013945
    10  H   -0.005653   0.000796  -0.054896   1.025980   0.073498  -0.050059
    11  H   -0.015574   0.002039  -0.053489   0.073498   1.487579  -0.049484
    12  C    0.001128   0.001024   0.013945  -0.050059  -0.049484   3.982540
    13  H    0.034788  -0.091155   0.012465  -0.002986  -0.101456   0.022882
    14  H   -0.091534   0.078130  -0.006349  -0.001276   0.077354  -0.070523
    15  H    0.002490  -0.002115  -0.005315  -0.009334   0.003020   0.237973
    16  H   -0.000491   0.001390  -0.003492   0.000458   0.004076   0.180990
    17  H    0.000859   0.000517   0.007581  -0.001288  -0.003573   0.192277
              13         14         15         16         17
     1  C   -0.030496   0.029414   0.016344  -0.013773  -0.001461
     2  C    0.008644   0.008432   0.020517  -0.009066  -0.007390
     3  C    0.023448   0.025188  -0.029661   0.029790  -0.021685
     4  C    0.006986   0.039046   0.157293   0.105513   0.117825
     5  C    0.297670   0.147852  -0.027399  -0.035252   0.016145
     6  O   -0.000154   0.001704  -0.000837   0.000888  -0.000306
     7  H    0.034788  -0.091534   0.002490  -0.000491   0.000859
     8  H   -0.091155   0.078130  -0.002115   0.001390   0.000517
     9  H    0.012465  -0.006349  -0.005315  -0.003492   0.007581
    10  H   -0.002986  -0.001276  -0.009334   0.000458  -0.001288
    11  H   -0.101456   0.077354   0.003020   0.004076  -0.003573
    12  C    0.022882  -0.070523   0.237973   0.180990   0.192277
    13  H    1.137108  -0.222406  -0.003161   0.005709  -0.003676
    14  H   -0.222406   1.249953  -0.019306   0.029393   0.002759
    15  H   -0.003161  -0.019306   0.757338   0.006341   0.010984
    16  H    0.005709   0.029393   0.006341   0.921061  -0.129128
    17  H   -0.003676   0.002759   0.010984  -0.129128   0.895277
 Mulliken charges:
               1
     1  C    0.497116
     2  C   -0.222642
     3  C    0.694230
     4  C   -0.919622
     5  C    0.675818
     6  O   -0.344796
     7  H    0.024132
     8  H   -0.232176
     9  H    0.010624
    10  H   -0.162506
    11  H   -0.499670
    12  C    1.136828
    13  H   -0.094209
    14  H   -0.277831
    15  H   -0.115172
    16  H   -0.094407
    17  H   -0.075717
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C    0.289072
     2  C   -0.222642
     3  C    0.542348
     4  C   -1.419292
     5  C    0.303778
     6  O   -0.344796
    12  C    0.851532
 Electronic spatial extent (au):  <R**2>=            754.3637
 Charge=             -0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=             -3.0675    Y=              1.0147    Z=              0.8164  Tot=              3.3325
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -52.8736   YY=            -43.1816   ZZ=            -42.7110
   XY=              2.9913   XZ=              1.7905   YZ=             -0.6830
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=             -6.6182   YY=              3.0738   ZZ=              3.5443
   XY=              2.9913   XZ=              1.7905   YZ=             -0.6830
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=            -19.1827  YYY=             -1.8780  ZZZ=              0.8786  XYY=              1.1840
  XXY=              7.4202  XXZ=              4.9125  XZZ=              2.9095  YZZ=              0.1508
  YYZ=             -0.0541  XYZ=             -0.1931
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=           -620.7105 YYYY=           -287.0285 ZZZZ=           -156.4215 XXXY=             10.8117
 XXXZ=              8.0623 YYYX=              2.7931 YYYZ=              0.7773 ZZZX=             -3.7525
 ZZZY=             -1.5929 XXYY=           -143.7285 XXZZ=           -122.9292 YYZZ=            -76.1618
 XXYZ=             -2.6053 YYXZ=              0.7051 ZZXY=             -1.9231
 N-N= 3.097775682425D+02 E-N=-1.337873076234D+03  KE= 3.062337763495D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Fri Jul 16 13:20:08 2021, MaxMem=  5637144576 cpu:               4.9 elap:               0.8
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        =-1.16023980D+00 3.83638416D-01 3.11601665D-01
 Polarizability= 7.65775188D+01-6.64074882D-01 7.04326567D+01
                -1.24347565D+00-1.39431419D+00 6.23398858D+01
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 2     -0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 3      0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 4      0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 5      0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 6     -0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000        0.7689    0.7686       -0.4834   -0.4839
 2     -0.7689   -0.7686        0.8122    0.8119       -3.4538   -3.4524
 3      0.4834    0.4839        7.7984    7.7992       -0.8124   -0.8119
 4     -0.8122   -0.8119        0.0000    0.0000        0.4836    0.4839
 5     -4.3446   -4.3468       -0.4836   -0.4839        0.7687    0.7686
 6      0.8124    0.8119       -0.7687   -0.7686        0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000       -2.3058   -2.3058       -1.4517   -1.4517
 2     -2.4358   -2.4358        0.0000    0.0000       -1.4517   -1.4517
 3     -2.4358   -2.4358       -2.3058   -2.3058        0.0000    0.0000
 4     -2.3058   -2.3058        2.4358    2.4358      -10.3572  -10.3572
 5      1.4517    1.4517       23.3975   23.3975       -2.4358   -2.4358
 6    -13.0403  -13.0403       -1.4517   -1.4517        2.3058    2.3058
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0156    0.0000       -3.0603   -3.0743        1.9491    1.9356
 2      3.0768    3.0743       -3.2811   -3.2477       13.8557   13.8096
 3     -1.9211   -1.9356      -31.1975  -31.1966        3.1980    3.2477
 4      3.2325    3.2477       -0.0227    0.0000       -1.9247   -1.9356
 5     17.3864   17.3870        1.9453    1.9356       -3.0747   -3.0743
 6     -3.2555   -3.2477        3.0539    3.0743       -0.0096    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0184    0.0000        3.4302    3.4408        9.2432    9.3160
 2     -3.5091   -3.4408       -4.1974   -4.1225       12.6717   12.6968
 3     -9.3235   -9.3160       -0.5724   -0.5386        4.1211    4.1225
 4      4.1581    4.1225       -0.0004    0.0000       -9.2814   -9.3160
 5    -12.1494  -12.1583        9.3030    9.3160        3.5216    3.4408
 6     -4.1236   -4.1225       -3.4384   -3.4408        0.0269    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      1.1830    1.2421       13.9729   14.0020      -24.0217  -24.0386
 2      9.8920    9.9315       18.3345   18.3536      -24.0239  -24.0386
 3      9.8739    9.9315       13.9834   14.0020      -34.8610  -34.9032
 4     -4.3918   -4.3516       -8.7093   -8.6895       21.4658   21.4641
 5    -10.8551  -10.8646        8.0200    8.0515        8.7653    8.6895
 6    -29.4796  -29.5157       10.7805   10.8646        4.4111    4.3516
 Full mass-weighted force constant matrix:
 Low frequencies ---  -10.9892   -0.0007    0.0003    0.0005    3.4494    4.9981
 Low frequencies ---   73.8145  173.4091  235.9158
 Diagonal vibrational polarizability:
        6.1916488       7.5430927      17.3727184
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   20491.80
                      1                      2                      3
                      A                      A                      A
 Frequencies --     73.8086               173.4075               235.9153
 Red. masses --      3.3753                 2.0610                 1.0418
 Frc consts  --      0.0108                 0.0365                 0.0342
 IR Inten    --      4.6450                 0.6364                 0.1012
 RamAct Fr= 1--      1.1264                 0.6216                 0.0398
  Dep-P Fr= 1--      0.7406                 0.6592                 0.6635
  Dep-U Fr= 1--      0.8509                 0.7946                 0.7977
 Alpha2 Fr= 1--      0.0002                 0.0010                 0.0001
 Beta2  Fr= 1--      0.1597                 0.0823                 0.0053
 AlphaG Fr= 1--      0.0007                -0.0020                 0.0007
 Gamma2 Fr= 1--      0.1549                -0.0434                 0.0045
 Delta2 Fr= 1--     -0.1198                 0.0715                 0.0105
 Raman1 Fr= 1--       4.505                  2.486                  0.159
 ROA1   Fr= 1--      11.032                 -1.879                  0.765
 CID1   Fr= 1--       2.448                 -0.756                  4.805
 Raman2 Fr= 1--       1.917                  0.988                  0.064
 ROA2   Fr= 1--       4.675                 -1.614                  0.024
 CID2   Fr= 1--       2.439                 -1.633                  0.374
 Raman3 Fr= 1--       3.834                  1.976                  0.127
 ROA3   Fr= 1--      11.032                 -1.879                  0.765
 CID3   Fr= 1--       2.877                 -0.951                  6.023
 RC180  Fr= 1--       0.702                  0.589                  0.595
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03  -0.06  -0.13     0.12   0.07   0.14    -0.01  -0.02  -0.02
     2   6     0.04   0.00  -0.02     0.04   0.01   0.02     0.00  -0.01   0.00
     3   6    -0.01  -0.08  -0.17     0.00  -0.00  -0.07     0.01   0.01   0.02
     4   6     0.01  -0.01  -0.00     0.00   0.00  -0.03     0.00  -0.00   0.00
     5   6     0.05  -0.03  -0.01    -0.03   0.02  -0.12    -0.00  -0.00  -0.01
     6   8     0.14   0.10   0.22     0.02  -0.02  -0.02    -0.00  -0.02   0.01
     7   1    -0.16  -0.22  -0.13     0.38   0.27   0.12    -0.01  -0.04  -0.02
     8   1    -0.03   0.01  -0.32     0.08  -0.00   0.43    -0.01  -0.01  -0.04
     9   1     0.01  -0.33  -0.18    -0.01  -0.08  -0.06    -0.00   0.06   0.03
    10   1    -0.05  -0.02  -0.38    -0.00   0.02  -0.13     0.02  -0.00   0.07
    11   1     0.11  -0.01   0.08     0.07   0.05   0.03     0.00  -0.02  -0.00
    12   6    -0.19   0.07   0.08    -0.13  -0.08   0.08     0.00   0.03  -0.01
    13   1     0.16  -0.05  -0.02    -0.27   0.16  -0.14    -0.00   0.02  -0.02
    14   1     0.02   0.01   0.08     0.02  -0.08  -0.34    -0.01  -0.01  -0.02
    15   1    -0.31   0.07  -0.00    -0.26  -0.05  -0.01    -0.19   0.58  -0.08
    16   1    -0.19   0.12   0.23    -0.20  -0.16   0.19    -0.29  -0.32   0.31
    17   1    -0.24   0.08   0.09    -0.04  -0.10   0.15     0.48  -0.12  -0.27
                      4                      5                      6
                      A                      A                      A
 Frequencies --    350.5216               367.8091               460.1283
 Red. masses --      2.0769                 1.9011                 2.4824
 Frc consts  --      0.1503                 0.1515                 0.3097
 IR Inten    --      0.8386                 0.6952                 2.8322
 RamAct Fr= 1--      0.6762                 0.8414                 0.6682
  Dep-P Fr= 1--      0.6244                 0.1686                 0.7338
  Dep-U Fr= 1--      0.7688                 0.2886                 0.8465
 Alpha2 Fr= 1--      0.0015                 0.0124                 0.0002
 Beta2  Fr= 1--      0.0867                 0.0405                 0.0943
 AlphaG Fr= 1--     -0.0089                 0.0134                -0.0004
 Gamma2 Fr= 1--     -0.1759                -0.0141                 1.3826
 Delta2 Fr= 1--     -0.0819                 0.0289                 0.1062
 Raman1 Fr= 1--       2.705                  3.366                  2.673
 ROA1   Fr= 1--     -19.512                 -0.425                136.123
 CID1   Fr= 1--      -7.213                 -0.126                 50.926
 Raman2 Fr= 1--       1.040                  0.486                  1.131
 ROA2   Fr= 1--      -3.567                 -0.569                 32.332
 CID2   Fr= 1--      -3.431                 -1.172                 28.580
 Raman3 Fr= 1--       2.080                  0.971                  2.263
 ROA3   Fr= 1--     -19.512                 -0.425                136.123
 CID3   Fr= 1--      -9.383                 -0.438                 60.163
 RC180  Fr= 1--       0.538                 -0.423                  0.693
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.06   0.01    -0.04  -0.03  -0.01     0.03  -0.08   0.04
     2   6     0.06  -0.01   0.04    -0.03  -0.03   0.01     0.07   0.03   0.24
     3   6     0.08   0.01   0.12    -0.00  -0.09  -0.03    -0.04  -0.06   0.06
     4   6     0.01  -0.09  -0.02     0.03  -0.00   0.13    -0.01   0.05  -0.05
     5   6    -0.06  -0.09  -0.07    -0.08   0.02  -0.10     0.05   0.04  -0.01
     6   8     0.05   0.03  -0.05    -0.02   0.02  -0.01    -0.02   0.09  -0.15
     7   1     0.05  -0.08   0.00     0.06  -0.02  -0.02    -0.07  -0.56   0.02
     8   1    -0.07  -0.01   0.04    -0.04  -0.05   0.05    -0.01   0.09  -0.36
     9   1    -0.00   0.30   0.15     0.09  -0.40  -0.06    -0.27  -0.42   0.12
    10   1     0.20  -0.08   0.38    -0.11  -0.00  -0.30    -0.06   0.04  -0.27
    11   1     0.01  -0.11  -0.02     0.03   0.00   0.13    -0.05   0.10  -0.07
    12   6    -0.10   0.15  -0.04     0.13   0.10   0.06    -0.03  -0.03  -0.03
    13   1    -0.16   0.02  -0.09    -0.23   0.34  -0.20     0.03   0.02  -0.00
    14   1    -0.07  -0.19  -0.18    -0.12  -0.22  -0.36     0.11   0.09  -0.04
    15   1    -0.14   0.13  -0.07     0.26   0.18   0.17    -0.08  -0.05  -0.07
    16   1     0.05   0.42   0.11     0.19   0.16  -0.01    -0.08  -0.10  -0.02
    17   1    -0.39   0.22  -0.19     0.10   0.10  -0.10     0.04  -0.04   0.05
                      7                      8                      9
                      A                      A                      A
 Frequencies --    476.2593               584.2538               671.7618
 Red. masses --      3.3336                 3.3245                 2.5949
 Frc consts  --      0.4455                 0.6686                 0.6899
 IR Inten    --      5.2865                 4.3026                 3.0134
 RamAct Fr= 1--      1.5095                 3.3141                 2.2624
  Dep-P Fr= 1--      0.7499                 0.2248                 0.1060
  Dep-U Fr= 1--      0.8571                 0.3671                 0.1917
 Alpha2 Fr= 1--      0.0000                 0.0421                 0.0390
 Beta2  Fr= 1--      0.2156                 0.2028                 0.0723
 AlphaG Fr= 1--     -0.0002                -0.1425                -0.0603
 Gamma2 Fr= 1--     -1.3792                -0.8076                 0.4244
 Delta2 Fr= 1--      0.0398                 0.1060                 0.0589
 Raman1 Fr= 1--       6.038                 13.257                  9.050
 ROA1   Fr= 1--    -131.125                -74.139                 42.631
 CID1   Fr= 1--     -21.717                 -5.593                  4.711
 Raman2 Fr= 1--       2.588                  2.433                  0.868
 ROA2   Fr= 1--     -33.418                -20.231                  9.716
 CID2   Fr= 1--     -12.915                 -8.314                 11.198
 Raman3 Fr= 1--       5.175                  4.867                  1.735
 ROA3   Fr= 1--    -131.125                -74.139                 42.631
 CID3   Fr= 1--     -25.338                -15.234                 24.568
 RC180  Fr= 1--       0.714                 -0.266                 -0.617
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.06  -0.15   0.03    -0.08  -0.08   0.13    -0.03  -0.03   0.09
     2   6    -0.09  -0.16  -0.12     0.15  -0.10  -0.07    -0.14  -0.07  -0.02
     3   6    -0.13  -0.08   0.06    -0.02   0.07  -0.09     0.09  -0.08  -0.04
     4   6    -0.07   0.06   0.02    -0.08   0.11   0.01     0.20   0.01  -0.12
     5   6     0.08   0.01  -0.01    -0.16   0.10   0.10     0.01   0.14   0.04
     6   8     0.08   0.25  -0.03     0.20  -0.08  -0.04    -0.10   0.04   0.05
     7   1     0.20   0.17   0.03    -0.37  -0.30   0.14    -0.27  -0.20   0.10
     8   1     0.24  -0.41   0.30    -0.11   0.07  -0.25     0.18  -0.12  -0.22
     9   1    -0.02   0.20   0.04     0.04   0.26  -0.10     0.14   0.20  -0.04
    10   1    -0.31  -0.17   0.37    -0.20  -0.01   0.16     0.10  -0.15   0.19
    11   1    -0.12   0.15   0.00    -0.04  -0.06   0.02     0.17  -0.09  -0.16
    12   6     0.01  -0.02   0.01    -0.00  -0.00  -0.01     0.02  -0.00  -0.02
    13   1     0.11  -0.00  -0.01    -0.37   0.26   0.07    -0.25   0.27   0.03
    14   1     0.16   0.09  -0.02    -0.04   0.03  -0.19     0.02  -0.05  -0.21
    15   1     0.06   0.01   0.05     0.08  -0.08   0.04    -0.27  -0.15  -0.25
    16   1    -0.04  -0.11  -0.08    -0.04  -0.12  -0.17    -0.01   0.02   0.24
    17   1     0.11  -0.04   0.03     0.10  -0.02   0.11    -0.04   0.03   0.22
                     10                     11                     12
                      A                      A                      A
 Frequencies --    737.4651               795.4766               814.7672
 Red. masses --      2.2570                 2.7881                 2.3470
 Frc consts  --      0.7232                 1.0395                 0.9180
 IR Inten    --      2.5172                 2.9635                 1.4469
 RamAct Fr= 1--      4.2246                15.3459                 1.3750
  Dep-P Fr= 1--      0.0674                 0.0421                 0.6779
  Dep-U Fr= 1--      0.1262                 0.0808                 0.8080
 Alpha2 Fr= 1--      0.0801                 0.3089                 0.0018
 Beta2  Fr= 1--      0.0889                 0.2067                 0.1852
 AlphaG Fr= 1--      0.1051                 0.2431                -0.0124
 Gamma2 Fr= 1--      0.5628                 0.1762                 0.0593
 Delta2 Fr= 1--      0.4679                -0.1507                 0.0563
 Raman1 Fr= 1--      16.898                 61.384                  5.500
 ROA1   Fr= 1--      69.002                 12.098                  7.496
 CID1   Fr= 1--       4.083                  0.197                  1.363
 Raman2 Fr= 1--       1.066                  2.480                  2.222
 ROA2   Fr= 1--       9.765                  5.436                  0.973
 CID2   Fr= 1--       9.156                  2.191                  0.438
 Raman3 Fr= 1--       2.133                  4.961                  4.444
 ROA3   Fr= 1--      69.002                 12.098                  7.496
 CID3   Fr= 1--      32.350                  2.439                  1.687
 RC180  Fr= 1--      -0.748                 -0.838                  0.616
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.13   0.07  -0.08     0.08   0.12  -0.04     0.03   0.21   0.00
     2   6     0.05  -0.09  -0.01     0.00   0.01  -0.07     0.04  -0.01  -0.01
     3   6     0.02  -0.10   0.16     0.04  -0.11   0.11    -0.18  -0.14  -0.00
     4   6     0.08   0.07  -0.07    -0.08  -0.10   0.13     0.04  -0.04  -0.04
     5   6    -0.08   0.08   0.01     0.06   0.16   0.07     0.05  -0.06  -0.02
     6   8     0.09  -0.03  -0.01     0.02  -0.01   0.01     0.03  -0.00  -0.01
     7   1     0.04   0.46  -0.06    -0.21   0.09  -0.01    -0.22  -0.08   0.01
     8   1    -0.11  -0.07   0.30     0.25   0.05  -0.27    -0.11   0.44  -0.29
     9   1    -0.10  -0.42   0.18     0.19  -0.20   0.07    -0.24   0.25   0.02
    10   1    -0.17  -0.01  -0.12     0.10  -0.08  -0.01    -0.28  -0.26   0.37
    11   1    -0.04   0.09  -0.16    -0.11  -0.06   0.12    -0.01   0.11  -0.05
    12   6     0.00   0.01  -0.03    -0.12  -0.08  -0.14     0.06   0.02   0.07
    13   1     0.08  -0.06   0.04    -0.13   0.43  -0.01    -0.12  -0.04  -0.01
    14   1    -0.20   0.11   0.23     0.09  -0.01  -0.21    -0.06  -0.22  -0.06
    15   1    -0.22  -0.10  -0.20     0.05   0.06   0.01     0.01   0.02   0.04
    16   1    -0.05  -0.01   0.14    -0.06  -0.02  -0.24     0.05   0.04   0.14
    17   1    -0.02   0.02   0.17    -0.15  -0.09  -0.41     0.05   0.03   0.08
                     13                     14                     15
                      A                      A                      A
 Frequencies --    886.6733               935.6361               964.9773
 Red. masses --      1.7807                 2.0418                 1.4120
 Frc consts  --      0.8248                 1.0531                 0.7747
 IR Inten    --      4.8935                 1.8505                 0.5300
 RamAct Fr= 1--      2.6211                 3.7613                 0.7224
  Dep-P Fr= 1--      0.1685                 0.5382                 0.4195
  Dep-U Fr= 1--      0.2884                 0.6998                 0.5910
 Alpha2 Fr= 1--      0.0386                 0.0153                 0.0050
 Beta2  Fr= 1--      0.1260                 0.4387                 0.0712
 AlphaG Fr= 1--     -0.0745                 0.0404                 0.0450
 Gamma2 Fr= 1--      0.2703                -0.2753                 0.1533
 Delta2 Fr= 1--      0.4189                -1.1450                -0.7468
 Raman1 Fr= 1--      10.484                 15.045                  2.889
 ROA1   Fr= 1--      39.359                -63.071                 -9.180
 CID1   Fr= 1--       3.754                 -4.192                 -3.177
 Raman2 Fr= 1--       1.512                  5.264                  0.854
 ROA2   Fr= 1--       3.137                  2.552                  9.654
 CID2   Fr= 1--       2.075                  0.485                 11.306
 Raman3 Fr= 1--       3.024                 10.529                  1.708
 ROA3   Fr= 1--      39.359                -63.071                 -9.180
 CID3   Fr= 1--      13.016                 -5.990                 -5.376
 RC180  Fr= 1--      -0.423                  0.400                  0.182
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03   0.03  -0.01    -0.10   0.02   0.08    -0.01   0.01   0.10
     2   6     0.01  -0.05   0.10    -0.01   0.02  -0.03    -0.02  -0.03  -0.07
     3   6     0.06  -0.12  -0.09     0.11  -0.09   0.02     0.01   0.03   0.04
     4   6    -0.03  -0.02  -0.00    -0.03   0.13   0.02     0.00  -0.00  -0.01
     5   6    -0.05   0.14  -0.07     0.10  -0.12  -0.06    -0.01   0.02  -0.10
     6   8    -0.01  -0.00  -0.01    -0.02  -0.01   0.02     0.01  -0.00   0.01
     7   1     0.30  -0.12  -0.06    -0.19   0.03   0.09    -0.12  -0.19   0.10
     8   1    -0.10   0.05   0.10    -0.31   0.21   0.07    -0.06   0.14  -0.13
     9   1     0.02   0.30  -0.07     0.30  -0.00  -0.03     0.33  -0.14  -0.04
    10   1     0.21  -0.24   0.29     0.18  -0.11   0.06    -0.24   0.08  -0.08
    11   1     0.14  -0.04   0.13    -0.04   0.44   0.05    -0.03   0.23  -0.00
    12   6    -0.02  -0.00   0.04    -0.07   0.05  -0.05     0.02  -0.07   0.02
    13   1     0.30  -0.11  -0.02     0.03  -0.05  -0.07     0.04  -0.36   0.04
    14   1    -0.12   0.35   0.31     0.17  -0.10  -0.14     0.13   0.33   0.11
    15   1     0.20   0.09   0.21     0.09  -0.08   0.05    -0.03   0.18   0.01
    16   1     0.02  -0.01  -0.17    -0.18  -0.22  -0.39     0.17   0.22   0.25
    17   1     0.04  -0.03  -0.14     0.21  -0.01   0.14    -0.23  -0.02  -0.34
                     16                     17                     18
                      A                      A                      A
 Frequencies --   1001.0028              1009.1492              1041.5521
 Red. masses --      2.0132                 1.5815                 1.4190
 Frc consts  --      1.1885                 0.9489                 0.9070
 IR Inten    --      0.5174                 1.6717                 7.6697
 RamAct Fr= 1--      3.9917                 4.6680                 1.9459
  Dep-P Fr= 1--      0.3215                 0.7143                 0.2919
  Dep-U Fr= 1--      0.4866                 0.8334                 0.4519
 Alpha2 Fr= 1--      0.0383                 0.0029                 0.0204
 Beta2  Fr= 1--      0.3237                 0.6484                 0.1466
 AlphaG Fr= 1--     -0.0971                -0.0488                -0.0161
 Gamma2 Fr= 1--      0.5511                -0.5986                -0.3071
 Delta2 Fr= 1--      0.7913                -1.7986                 0.0772
 Raman1 Fr= 1--      15.967                 18.672                  7.784
 ROA1   Fr= 1--      78.225               -115.024                -27.011
 CID1   Fr= 1--       4.899                 -6.160                 -3.470
 Raman2 Fr= 1--       3.885                  7.780                  1.759
 ROA2   Fr= 1--       6.895                  0.022                 -7.988
 CID2   Fr= 1--       1.775                  0.003                 -4.542
 Raman3 Fr= 1--       7.770                 15.561                  3.518
 ROA3   Fr= 1--      78.225               -115.024                -27.011
 CID3   Fr= 1--      10.068                 -7.392                 -7.679
 RC180  Fr= 1--      -0.027                  0.667                 -0.096
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.18   0.04  -0.03    -0.00  -0.01  -0.00     0.03   0.03  -0.01
     2   6    -0.03  -0.00  -0.05    -0.00   0.02  -0.04    -0.02  -0.07   0.02
     3   6     0.07  -0.06   0.05     0.04  -0.04   0.04     0.01   0.05   0.01
     4   6    -0.07   0.06  -0.00    -0.10  -0.04  -0.12     0.11   0.05  -0.03
     5   6    -0.17  -0.05   0.02     0.00   0.03  -0.01    -0.04  -0.04   0.01
     6   8    -0.01   0.01   0.01     0.01  -0.01   0.00    -0.01   0.01  -0.00
     7   1     0.21  -0.30  -0.06    -0.33   0.23   0.06    -0.11   0.04   0.01
     8   1     0.29   0.03  -0.27     0.21  -0.17  -0.09     0.24  -0.13  -0.11
     9   1     0.35  -0.09  -0.03    -0.31  -0.08   0.12    -0.20  -0.05   0.06
    10   1     0.04  -0.04  -0.01     0.44   0.00  -0.11    -0.15   0.06  -0.03
    11   1    -0.24   0.06  -0.14    -0.08   0.05  -0.10     0.42   0.17   0.23
    12   6     0.02   0.07   0.00     0.03   0.04   0.13    -0.09  -0.02   0.01
    13   1    -0.15  -0.26   0.10    -0.26  -0.18   0.10    -0.21  -0.19   0.09
    14   1    -0.29  -0.02   0.23     0.25   0.22  -0.15    -0.22  -0.18   0.10
    15   1    -0.07  -0.11  -0.08     0.18   0.09   0.24     0.25   0.12   0.26
    16   1    -0.09  -0.11  -0.03     0.05   0.03  -0.01    -0.01  -0.01  -0.35
    17   1     0.13   0.05   0.30     0.09   0.01   0.04     0.05  -0.08  -0.29
                     19                     20                     21
                      A                      A                      A
 Frequencies --   1125.4793              1158.7767              1177.7807
 Red. masses --      1.4776                 4.1228                 1.3714
 Frc consts  --      1.1028                 3.2617                 1.1209
 IR Inten    --      1.1767                68.8361                 2.7027
 RamAct Fr= 1--      2.8160                 1.3744                 2.8360
  Dep-P Fr= 1--      0.6450                 0.7486                 0.6415
  Dep-U Fr= 1--      0.7842                 0.8562                 0.7816
 Alpha2 Fr= 1--      0.0053                 0.0000                 0.0056
 Beta2  Fr= 1--      0.3680                 0.1961                 0.3694
 AlphaG Fr= 1--      0.0208                 0.0020                 0.0382
 Gamma2 Fr= 1--      0.6808                 0.2996                -0.4321
 Delta2 Fr= 1--     -0.2047                -0.0265                -1.2937
 Raman1 Fr= 1--      11.264                  5.498                 11.344
 ROA1   Fr= 1--      58.801                 27.913                -82.877
 CID1   Fr= 1--       5.220                  5.077                 -7.306
 Raman2 Fr= 1--       4.416                  2.354                  4.433
 ROA2   Fr= 1--      17.976                  7.402                 -0.020
 CID2   Fr= 1--       4.070                  3.145                 -0.004
 Raman3 Fr= 1--       8.833                  4.707                  8.866
 ROA3   Fr= 1--      58.801                 27.913                -82.877
 CID3   Fr= 1--       6.657                  5.930                 -9.347
 RC180  Fr= 1--       0.568                  0.712                  0.563
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.01  -0.06    -0.02  -0.17   0.06    -0.04   0.03   0.09
     2   6     0.02   0.01   0.08     0.08   0.37  -0.19    -0.03  -0.06  -0.06
     3   6    -0.00  -0.04  -0.07    -0.08  -0.15   0.06    -0.05   0.05   0.01
     4   6    -0.04   0.09   0.00     0.13   0.00  -0.01    -0.00  -0.05   0.01
     5   6     0.01  -0.02   0.07    -0.08   0.05   0.04     0.04   0.04  -0.04
     6   8    -0.00  -0.00  -0.01    -0.01  -0.06   0.03     0.04  -0.00   0.00
     7   1    -0.01   0.15  -0.05     0.34  -0.25   0.00     0.08  -0.24   0.05
     8   1     0.12  -0.18   0.06     0.06  -0.24   0.06     0.10  -0.05  -0.07
     9   1     0.16   0.15  -0.10    -0.32   0.05   0.12    -0.19  -0.01   0.04
    10   1     0.23  -0.08   0.06    -0.09  -0.17   0.14     0.53   0.11  -0.21
    11   1    -0.23   0.54  -0.08     0.09   0.45   0.03    -0.12   0.28  -0.03
    12   6     0.04  -0.09   0.00    -0.04  -0.02  -0.00     0.01   0.01  -0.01
    13   1    -0.20   0.04   0.07     0.10   0.06   0.01     0.24   0.10  -0.10
    14   1    -0.14  -0.25  -0.01    -0.09   0.07   0.08    -0.43  -0.30   0.23
    15   1    -0.08   0.16  -0.05     0.06   0.04   0.07    -0.02  -0.03  -0.02
    16   1     0.16   0.19   0.27     0.01   0.01  -0.12    -0.02  -0.02   0.01
    17   1    -0.23  -0.02  -0.25     0.01  -0.04  -0.17     0.02   0.01   0.05
                     22                     23                     24
                      A                      A                      A
 Frequencies --   1207.7679              1232.0784              1271.6531
 Red. masses --      1.5472                 1.5780                 1.5963
 Frc consts  --      1.3297                 1.4114                 1.5209
 IR Inten    --      0.2948                 1.2052                 2.3007
 RamAct Fr= 1--      1.4909                 2.2305                 1.9800
  Dep-P Fr= 1--      0.5096                 0.6288                 0.7469
  Dep-U Fr= 1--      0.6751                 0.7721                 0.8551
 Alpha2 Fr= 1--      0.0070                 0.0049                 0.0001
 Beta2  Fr= 1--      0.1678                 0.2870                 0.2822
 AlphaG Fr= 1--     -0.0085                 0.0201                -0.0035
 Gamma2 Fr= 1--      1.4384                 1.0234                -1.6720
 Delta2 Fr= 1--      0.6316                 0.2553                -0.4096
 Raman1 Fr= 1--       5.963                  8.922                  7.920
 ROA1   Fr= 1--     158.303                106.419               -173.615
 CID1   Fr= 1--      26.545                 11.928                -21.921
 Raman2 Fr= 1--       2.013                  3.444                  3.386
 ROA2   Fr= 1--      29.470                 22.520                -36.851
 CID2   Fr= 1--      14.640                  6.538                -10.882
 Raman3 Fr= 1--       4.026                  6.889                  6.773
 ROA3   Fr= 1--     158.303                106.419               -173.615
 CID3   Fr= 1--      39.320                 15.448                -25.635
 RC180  Fr= 1--       0.350                  0.544                  0.710
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.05   0.01   0.02    -0.08   0.01  -0.01    -0.07   0.08   0.04
     2   6     0.04   0.05   0.07     0.03   0.02   0.04    -0.00   0.02  -0.02
     3   6    -0.04  -0.00  -0.04    -0.04   0.03   0.03     0.16  -0.00  -0.03
     4   6     0.01  -0.06   0.11     0.01  -0.11  -0.11    -0.08   0.04  -0.02
     5   6    -0.00   0.00  -0.11     0.07   0.04   0.03     0.03  -0.05  -0.01
     6   8     0.01  -0.02  -0.01     0.01  -0.01  -0.01    -0.01  -0.01   0.01
     7   1    -0.37   0.23   0.08     0.20  -0.11  -0.05     0.09  -0.19   0.01
     8   1     0.49  -0.43  -0.10     0.13  -0.20   0.05     0.35  -0.27  -0.07
     9   1     0.10   0.08  -0.07     0.64  -0.02  -0.15    -0.40  -0.07   0.11
    10   1    -0.09  -0.04   0.10    -0.31   0.05  -0.01    -0.50  -0.05   0.14
    11   1     0.04   0.10   0.15    -0.20   0.05  -0.26    -0.17  -0.14  -0.11
    12   6     0.02   0.05  -0.06    -0.05   0.04   0.06     0.02  -0.02   0.02
    13   1    -0.02  -0.28   0.01    -0.07   0.04   0.04     0.26   0.21  -0.15
    14   1    -0.03   0.12   0.09    -0.09  -0.19  -0.03    -0.06  -0.14   0.01
    15   1    -0.11  -0.16  -0.18     0.19   0.00   0.23    -0.01   0.08   0.02
    16   1    -0.10  -0.12   0.02    -0.04  -0.04  -0.16     0.05   0.04   0.06
    17   1     0.05   0.05   0.19     0.16  -0.02   0.02    -0.08   0.00  -0.05
                     25                     26                     27
                      A                      A                      A
 Frequencies --   1298.8588              1325.6269              1351.7081
 Red. masses --      1.2581                 1.5699                 1.4864
 Frc consts  --      1.2505                 1.6254                 1.6001
 IR Inten    --      3.2683                 1.3102                 2.2691
 RamAct Fr= 1--      3.9726                 2.1871                 1.2523
  Dep-P Fr= 1--      0.6739                 0.6667                 0.6983
  Dep-U Fr= 1--      0.8052                 0.8000                 0.8223
 Alpha2 Fr= 1--      0.0053                 0.0032                 0.0011
 Beta2  Fr= 1--      0.5331                 0.2916                 0.1716
 AlphaG Fr= 1--     -0.0315                 0.0177                -0.0021
 Gamma2 Fr= 1--      2.9063                 2.3171                -1.0142
 Delta2 Fr= 1--      0.6169                 1.8311                -0.6845
 Raman1 Fr= 1--      15.890                  8.748                  5.009
 ROA1   Fr= 1--     298.746                281.034               -119.269
 CID1   Fr= 1--      18.801                 32.124                -23.810
 Raman2 Fr= 1--       6.398                  3.499                  2.060
 ROA2   Fr= 1--      64.816                 40.961                -18.866
 CID2   Fr= 1--      10.131                 11.705                 -9.160
 Raman3 Fr= 1--      12.795                  6.999                  4.119
 ROA3   Fr= 1--     298.746                281.034               -119.269
 CID3   Fr= 1--      23.348                 40.154                -28.954
 RC180  Fr= 1--       0.610                  0.600                  0.645
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.09   0.08  -0.03     0.05  -0.07  -0.02     0.02   0.04  -0.01
     2   6    -0.01  -0.03  -0.02    -0.01  -0.02  -0.00    -0.01  -0.05   0.03
     3   6    -0.00   0.01  -0.00     0.11   0.04  -0.05     0.00   0.03  -0.02
     4   6    -0.01  -0.02   0.03    -0.01  -0.12   0.03     0.07  -0.09  -0.00
     5   6     0.02  -0.01   0.04     0.04   0.09  -0.00    -0.12  -0.07   0.06
     6   8     0.02  -0.00   0.00    -0.02   0.01   0.01     0.00   0.01  -0.01
     7   1     0.52  -0.37  -0.14    -0.03   0.12   0.00    -0.06   0.04  -0.00
     8   1     0.09  -0.11   0.03    -0.31   0.24   0.05     0.08   0.00  -0.04
     9   1    -0.12  -0.02   0.03    -0.32  -0.07   0.06    -0.05   0.03  -0.01
    10   1     0.09   0.02  -0.02    -0.38  -0.01   0.12    -0.02   0.04  -0.03
    11   1     0.16   0.19   0.20    -0.22   0.48  -0.03    -0.18   0.54  -0.11
    12   6     0.02   0.01  -0.03     0.01   0.04  -0.00    -0.03   0.02  -0.01
    13   1    -0.39  -0.19   0.17    -0.28  -0.18   0.15     0.39   0.36  -0.18
    14   1     0.32   0.16  -0.18    -0.19  -0.11   0.08     0.35   0.34  -0.13
    15   1    -0.06  -0.06  -0.10    -0.02  -0.13  -0.05     0.09  -0.05   0.07
    16   1    -0.03  -0.04   0.05    -0.09  -0.11  -0.01    -0.02   0.01   0.00
    17   1    -0.01   0.03   0.08     0.02   0.03   0.03     0.11  -0.02   0.03
                     28                     29                     30
                      A                      A                      A
 Frequencies --   1379.5282              1417.5538              1450.2102
 Red. masses --      1.3990                 1.2423                 1.0847
 Frc consts  --      1.5687                 1.4708                 1.3441
 IR Inten    --      2.2093                 6.3178                18.4319
 RamAct Fr= 1--      1.9010                 0.3072                 2.2935
  Dep-P Fr= 1--      0.6993                 0.7462                 0.7227
  Dep-U Fr= 1--      0.8231                 0.8547                 0.8390
 Alpha2 Fr= 1--      0.0017                 0.0000                 0.0011
 Beta2  Fr= 1--      0.2608                 0.0438                 0.3207
 AlphaG Fr= 1--     -0.0142                -0.0005                 0.0177
 Gamma2 Fr= 1--     -0.0611                 0.0953                 0.0741
 Delta2 Fr= 1--      0.0263                -0.1619                 0.5169
 Raman1 Fr= 1--       7.604                  1.229                  9.174
 ROA1   Fr= 1--      -5.027                  3.972                 23.652
 CID1   Fr= 1--      -0.661                  3.233                  2.578
 Raman2 Fr= 1--       3.129                  0.525                  3.849
 ROA2   Fr= 1--      -1.678                  3.583                 -2.357
 CID2   Fr= 1--      -0.536                  6.825                 -0.612
 Raman3 Fr= 1--       6.259                  1.050                  7.697
 ROA3   Fr= 1--      -5.027                  3.972                 23.652
 CID3   Fr= 1--      -0.803                  3.783                  3.073
 RC180  Fr= 1--       0.646                  0.709                  0.678
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02  -0.02   0.01    -0.01  -0.01   0.01    -0.02  -0.02   0.01
     2   6     0.00   0.01   0.00    -0.00   0.00  -0.01     0.00  -0.01   0.01
     3   6     0.01  -0.00   0.03     0.00   0.01  -0.01     0.02  -0.06   0.04
     4   6    -0.12  -0.05  -0.11     0.02   0.01   0.03    -0.00  -0.01   0.01
     5   6    -0.01   0.00   0.03     0.01   0.01  -0.01     0.01  -0.00  -0.00
     6   8    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
     7   1    -0.03   0.08   0.02     0.06   0.05  -0.00     0.16   0.20  -0.00
     8   1    -0.01   0.03  -0.05    -0.01   0.02  -0.08     0.02   0.06  -0.24
     9   1     0.18  -0.10  -0.02    -0.06  -0.10   0.01    -0.04   0.64   0.04
    10   1    -0.12  -0.01   0.04     0.02  -0.04   0.11    -0.20   0.17  -0.60
    11   1     0.60   0.26   0.51    -0.09  -0.06  -0.06    -0.01   0.01   0.01
    12   6     0.05   0.01  -0.04    -0.07  -0.04  -0.11     0.00  -0.00  -0.02
    13   1     0.16   0.23  -0.08    -0.09  -0.06   0.03    -0.05   0.02   0.00
    14   1    -0.10  -0.09   0.04    -0.03   0.00   0.04    -0.00   0.02   0.04
    15   1     0.02   0.02  -0.04     0.42   0.20   0.30     0.05   0.07   0.03
    16   1     0.00   0.01   0.23     0.10   0.34   0.42    -0.02  -0.03   0.03
    17   1    -0.03   0.05   0.21     0.25  -0.08   0.49    -0.06   0.02   0.09
                     31                     32                     33
                      A                      A                      A
 Frequencies --   1455.8960              1497.5749              1500.7747
 Red. masses --      1.0839                 1.0578                 1.0574
 Frc consts  --      1.3536                 1.3977                 1.4033
 IR Inten    --      4.0481                 6.7821                 1.4609
 RamAct Fr= 1--      9.6490                 5.4001                 5.9533
  Dep-P Fr= 1--      0.6269                 0.7328                 0.7217
  Dep-U Fr= 1--      0.7707                 0.8458                 0.8383
 Alpha2 Fr= 1--      0.0216                 0.0016                 0.0029
 Beta2  Fr= 1--      1.2394                 0.7613                 0.8318
 AlphaG Fr= 1--      0.0721                -0.0045                -0.0062
 Gamma2 Fr= 1--     -1.0901                 0.3977                -0.4223
 Delta2 Fr= 1--      1.1801                 0.0108                -1.4966
 Raman1 Fr= 1--      38.596                 21.600                 23.813
 ROA1   Fr= 1--     -66.886                 38.520                -88.429
 CID1   Fr= 1--      -1.733                  1.783                 -3.713
 Raman2 Fr= 1--      14.873                  9.135                  9.982
 ROA2   Fr= 1--     -35.603                  9.458                  1.838
 CID2   Fr= 1--      -2.394                  1.035                  0.184
 Raman3 Fr= 1--      29.746                 18.270                 19.963
 ROA3   Fr= 1--     -66.886                 38.520                -88.429
 CID3   Fr= 1--      -2.249                  2.108                 -4.430
 RC180  Fr= 1--       0.541                  0.692                  0.677
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.04   0.04  -0.05     0.00   0.01  -0.00     0.01   0.01  -0.01
     2   6     0.00   0.01  -0.01    -0.00   0.00  -0.00     0.00  -0.00   0.00
     3   6     0.01  -0.02   0.02    -0.00  -0.01   0.00    -0.00   0.01  -0.00
     4   6    -0.01  -0.01  -0.00     0.01   0.02  -0.00     0.02  -0.02   0.00
     5   6     0.01   0.00  -0.01    -0.02   0.03   0.02    -0.02   0.03   0.01
     6   8     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
     7   1    -0.43  -0.47  -0.00    -0.04  -0.05  -0.00    -0.07  -0.07  -0.00
     8   1    -0.05  -0.15   0.63     0.00  -0.01   0.06    -0.01  -0.02   0.09
     9   1    -0.02   0.22   0.02    -0.01   0.03   0.00     0.00  -0.02  -0.00
    10   1    -0.08   0.06  -0.22     0.02   0.00  -0.03    -0.00   0.00   0.02
    11   1     0.02   0.02   0.03    -0.01  -0.04  -0.03    -0.03   0.04  -0.03
    12   6    -0.01  -0.00  -0.02     0.01   0.03  -0.03     0.03  -0.04  -0.01
    13   1    -0.11   0.08  -0.02     0.26  -0.25   0.07     0.16  -0.17   0.05
    14   1    -0.04   0.06   0.12     0.02  -0.19  -0.31     0.03  -0.10  -0.20
    15   1     0.06  -0.01   0.03     0.36  -0.26   0.21    -0.05   0.62   0.03
    16   1     0.02   0.06   0.08    -0.30  -0.33   0.39    -0.03  -0.18  -0.31
    17   1     0.07  -0.02   0.05    -0.28   0.09  -0.19    -0.40   0.12   0.42
                     34                     35                     36
                      A                      A                      A
 Frequencies --   1508.0082              1814.6054              3025.7798
 Red. masses --      1.0740                12.5848                 1.0479
 Frc consts  --      1.4391                24.4152                 5.6524
 IR Inten    --      5.9995               258.7535                27.5647
 RamAct Fr= 1--      2.1315                20.3009                37.0527
  Dep-P Fr= 1--      0.5712                 0.4996                 0.3802
  Dep-U Fr= 1--      0.7271                 0.6663                 0.5509
 Alpha2 Fr= 1--      0.0072                 0.1004                 0.2942
 Beta2  Fr= 1--      0.2583                 2.2544                 3.4021
 AlphaG Fr= 1--     -0.0070                 0.4804                 0.2800
 Gamma2 Fr= 1--     -0.3324                 4.6668                 1.5089
 Delta2 Fr= 1--      0.2444                 0.6671                 0.4640
 Raman1 Fr= 1--       8.526                 81.204                148.211
 ROA1   Fr= 1--     -24.091                469.355                159.700
 CID1   Fr= 1--      -2.826                  5.780                  1.078
 Raman2 Fr= 1--       3.100                 27.053                 40.826
 ROA2   Fr= 1--      -9.933                106.666                 32.500
 CID2   Fr= 1--      -3.204                  3.943                  0.796
 Raman3 Fr= 1--       6.199                 54.106                 81.651
 ROA3   Fr= 1--     -24.091                469.355                159.700
 CID3   Fr= 1--      -3.886                  8.675                  1.956
 RC180  Fr= 1--       0.454                  0.333                  0.102
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.01   0.00    -0.04   0.01   0.01     0.00  -0.00   0.01
     2   6     0.00   0.00  -0.00     0.75  -0.26  -0.20     0.00   0.00  -0.00
     3   6    -0.01   0.01  -0.00    -0.04   0.01   0.01    -0.01   0.01  -0.04
     4   6     0.02   0.00  -0.01    -0.02   0.01   0.01    -0.01  -0.00   0.01
     5   6     0.03  -0.05  -0.02    -0.02   0.01   0.00     0.00  -0.00  -0.00
     6   8    -0.00   0.00   0.00    -0.49   0.17   0.13    -0.00   0.00   0.00
     7   1     0.03   0.03  -0.00     0.03  -0.04   0.00    -0.01   0.01  -0.10
     8   1    -0.00   0.00  -0.04     0.10  -0.09  -0.01     0.01   0.01   0.01
     9   1     0.02  -0.10  -0.01     0.01   0.00  -0.01     0.13   0.00   0.52
    10   1     0.04  -0.02   0.09     0.15   0.02  -0.06    -0.01  -0.16  -0.07
    11   1    -0.04  -0.03  -0.07    -0.02  -0.00   0.02     0.11   0.02  -0.14
    12   6     0.03   0.01  -0.01     0.00  -0.00  -0.00    -0.01  -0.01  -0.04
    13   1    -0.36   0.37  -0.11     0.03  -0.00   0.00     0.01   0.03   0.08
    14   1    -0.01   0.28   0.44    -0.02   0.02  -0.00    -0.03   0.02  -0.02
    15   1     0.20   0.08   0.14    -0.01  -0.02  -0.01    -0.33  -0.06   0.43
    16   1    -0.23  -0.34   0.09     0.00   0.01   0.02     0.34  -0.23   0.05
    17   1    -0.39   0.12   0.01     0.01  -0.00  -0.01     0.11   0.38  -0.04
                     37                     38                     39
                      A                      A                      A
 Frequencies --   3028.0990              3039.1426              3046.6239
 Red. masses --      1.0572                 1.0685                 1.0652
 Frc consts  --      5.7113                 5.8149                 5.8255
 IR Inten    --      5.0903                13.8120                13.2455
 RamAct Fr= 1--    184.2103               119.2957                90.2633
  Dep-P Fr= 1--      0.0355                 0.1625                 0.1170
  Dep-U Fr= 1--      0.0686                 0.2796                 0.2094
 Alpha2 Fr= 1--      3.7659                 1.7862                 1.5158
 Beta2  Fr= 1--      2.1064                 5.5593                 3.1504
 AlphaG Fr= 1--     -1.0816                -0.9159                -0.9208
 Gamma2 Fr= 1--      9.5533                -5.6200                -4.4705
 Delta2 Fr= 1--     -1.9747                 0.2265                -2.6669
 Raman1 Fr= 1--     736.841                477.183                361.053
 ROA1   Fr= 1--     853.922               -532.273               -514.507
 CID1   Fr= 1--       1.159                 -1.115                 -1.425
 Raman2 Fr= 1--      25.277                 66.711                 37.805
 ROA2   Fr= 1--     245.076               -136.692                -85.956
 CID2   Fr= 1--       9.695                 -2.049                 -2.274
 Raman3 Fr= 1--      50.555                133.422                 75.610
 ROA3   Fr= 1--     853.922               -532.273               -514.507
 CID3   Fr= 1--      16.891                 -3.989                 -6.805
 RC180  Fr= 1--      -0.863                 -0.441                 -0.581
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00  -0.01     0.00   0.00   0.02     0.01   0.02  -0.06
     2   6    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00   0.00  -0.00
     3   6    -0.02   0.02  -0.05     0.00  -0.00   0.00     0.00   0.00   0.00
     4   6    -0.01  -0.00   0.01    -0.02  -0.00   0.02    -0.00  -0.00   0.00
     5   6    -0.00   0.00   0.00     0.01  -0.04  -0.05     0.01  -0.02  -0.00
     6   8    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00   0.00
     7   1     0.01  -0.01   0.08    -0.03   0.02  -0.22     0.12  -0.05   0.88
     8   1    -0.02  -0.02  -0.01    -0.01  -0.02  -0.00    -0.22  -0.24  -0.11
     9   1     0.19  -0.00   0.73    -0.02  -0.00  -0.07    -0.00   0.00  -0.02
    10   1    -0.01  -0.20  -0.08     0.00   0.03   0.01    -0.00  -0.01  -0.00
    11   1     0.08   0.02  -0.10     0.23   0.04  -0.29     0.02   0.00  -0.02
    12   6     0.01   0.01   0.03     0.01   0.00   0.00    -0.01  -0.00  -0.00
    13   1    -0.01  -0.02  -0.06     0.12   0.28   0.75     0.02   0.05   0.14
    14   1     0.02  -0.02   0.02    -0.23   0.18  -0.17    -0.16   0.14  -0.11
    15   1     0.23   0.04  -0.30     0.02   0.00  -0.03    -0.01  -0.00   0.01
    16   1    -0.27   0.18  -0.04    -0.10   0.07  -0.02     0.08  -0.05   0.01
    17   1    -0.08  -0.30   0.03    -0.03  -0.13   0.01     0.02   0.07  -0.00
                     40                     41                     42
                      A                      A                      A
 Frequencies --   3057.0778              3087.3755              3088.0415
 Red. masses --      1.0835                 1.0983                 1.0990
 Frc consts  --      5.9664                 6.1680                 6.1746
 IR Inten    --     24.2966                13.0036                52.9738
 RamAct Fr= 1--    234.0358                70.2838                56.7152
  Dep-P Fr= 1--      0.1556                 0.2837                 0.2122
  Dep-U Fr= 1--      0.2693                 0.4420                 0.3501
 Alpha2 Fr= 1--      3.5667                 0.7564                 0.7455
 Beta2  Fr= 1--     10.5049                 5.1777                 3.3098
 AlphaG Fr= 1--      1.0376                 0.5364                 0.5313
 Gamma2 Fr= 1--     12.4906                18.9336                 0.1429
 Delta2 Fr= 1--      7.0281                12.2605                 0.5041
 Raman1 Fr= 1--     936.143                281.135                226.861
 ROA1   Fr= 1--    1423.995               2209.964                 29.851
 CID1   Fr= 1--       1.521                  7.861                  0.132
 Raman2 Fr= 1--     126.058                 62.133                 39.717
 ROA2   Fr= 1--     243.550                356.324                 -0.602
 CID2   Fr= 1--       1.932                  5.735                 -0.015
 Raman3 Fr= 1--     252.117                124.265                 79.435
 ROA3   Fr= 1--    1423.995               2209.964                 29.851
 CID3   Fr= 1--       5.648                 17.784                  0.376
 RC180  Fr= 1--      -0.461                 -0.116                 -0.300
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00   0.01     0.02   0.02   0.00     0.00   0.01   0.00
     2   6    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00  -0.00
     3   6    -0.00   0.01  -0.01     0.00   0.01   0.00    -0.00   0.00  -0.00
     4   6     0.04   0.01  -0.05     0.00   0.00  -0.00     0.02   0.00  -0.02
     5   6     0.01  -0.02  -0.02    -0.05   0.03  -0.06     0.01  -0.01   0.00
     6   8     0.00  -0.00  -0.00    -0.00  -0.00   0.00     0.00  -0.00   0.00
     7   1    -0.01   0.01  -0.11     0.01   0.00   0.05     0.00   0.00   0.01
     8   1    -0.01  -0.01  -0.00    -0.21  -0.23  -0.09    -0.06  -0.07  -0.03
     9   1     0.05  -0.00   0.19    -0.00   0.00  -0.02     0.01  -0.00   0.03
    10   1     0.00  -0.06  -0.02    -0.00  -0.08  -0.03     0.00  -0.02  -0.01
    11   1    -0.51  -0.10   0.64    -0.03  -0.01   0.04    -0.20  -0.04   0.26
    12   6    -0.03  -0.01   0.01     0.01  -0.02  -0.00     0.07   0.03  -0.04
    13   1     0.05   0.12   0.32     0.04   0.13   0.32     0.00  -0.00  -0.00
    14   1    -0.12   0.10  -0.09     0.56  -0.48   0.37    -0.08   0.07  -0.05
    15   1     0.14   0.03  -0.19    -0.04  -0.01   0.06    -0.41  -0.07   0.55
    16   1     0.12  -0.09   0.02    -0.18   0.12  -0.03    -0.30   0.22  -0.07
    17   1     0.03   0.15  -0.01     0.05   0.16  -0.01    -0.12  -0.47   0.02
                     43                     44                     45
                      A                      A                      A
 Frequencies --   3094.0581              3100.3022              3102.9851
 Red. masses --      1.1014                 1.0945                 1.0981
 Frc consts  --      6.2123                 6.1983                 6.2293
 IR Inten    --     30.2300                17.0876                13.8814
 RamAct Fr= 1--     88.8666                93.4804               119.0528
  Dep-P Fr= 1--      0.5778                 0.4595                 0.4543
  Dep-U Fr= 1--      0.7324                 0.6297                 0.6248
 Alpha2 Fr= 1--      0.2873                 0.5512                 0.7173
 Beta2  Fr= 1--     10.8483                 9.8107                12.3964
 AlphaG Fr= 1--      0.6407                 0.6997                 0.8349
 Gamma2 Fr= 1--    -11.9309                 1.3636               -23.2404
 Delta2 Fr= 1--     -7.7511                 7.4502               -13.1923
 Raman1 Fr= 1--     355.466                373.922                476.211
 ROA1   Fr= 1--   -1393.400                369.307              -2653.227
 CID1   Fr= 1--      -3.920                  0.988                 -5.572
 Raman2 Fr= 1--     130.180                117.728                148.757
 ROA2   Fr= 1--    -224.333                -26.876               -452.231
 CID2   Fr= 1--      -1.723                 -0.228                 -3.040
 Raman3 Fr= 1--     260.359                235.456                297.515
 ROA3   Fr= 1--   -1393.400                369.307              -2653.227
 CID3   Fr= 1--      -5.352                  1.568                 -8.918
 RC180  Fr= 1--       0.465                  0.259                  0.250
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.01  -0.00    -0.00  -0.00  -0.00    -0.05  -0.05  -0.05
     2   6    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00  -0.00
     3   6     0.00   0.02   0.01    -0.01  -0.07  -0.04    -0.00   0.00   0.00
     4   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00   0.00  -0.00
     5   6     0.02  -0.01   0.02    -0.00   0.00  -0.00    -0.01   0.00  -0.03
     6   8     0.00   0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00   0.00
     7   1     0.00  -0.00   0.02     0.00  -0.00   0.03     0.04  -0.04   0.34
     8   1     0.08   0.09   0.03     0.02   0.03   0.01     0.56   0.62   0.23
     9   1    -0.01   0.00  -0.05     0.06  -0.02   0.25     0.00   0.00   0.00
    10   1    -0.01  -0.19  -0.06     0.01   0.89   0.29    -0.00  -0.05  -0.01
    11   1    -0.01  -0.00   0.01    -0.01  -0.00   0.02    -0.03  -0.01   0.04
    12   6     0.03  -0.08   0.01     0.01  -0.02   0.00     0.00   0.01  -0.01
    13   1    -0.01  -0.03  -0.08     0.00   0.01   0.02     0.03   0.08   0.21
    14   1    -0.17   0.15  -0.11     0.02  -0.01   0.01     0.15  -0.13   0.10
    15   1    -0.02  -0.02   0.04    -0.02  -0.01   0.03    -0.04  -0.01   0.06
    16   1    -0.56   0.36  -0.10    -0.13   0.09  -0.02     0.01  -0.00   0.00
    17   1     0.18   0.60  -0.04     0.04   0.14  -0.01    -0.02  -0.08   0.00

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  6 and mass  12.00000
 Atom     4 has atomic number  6 and mass  12.00000
 Atom     5 has atomic number  6 and mass  12.00000
 Atom     6 has atomic number  8 and mass  15.99491
 Atom     7 has atomic number  1 and mass   1.00783
 Atom     8 has atomic number  1 and mass   1.00783
 Atom     9 has atomic number  1 and mass   1.00783
 Atom    10 has atomic number  1 and mass   1.00783
 Atom    11 has atomic number  1 and mass   1.00783
 Atom    12 has atomic number  6 and mass  12.00000
 Atom    13 has atomic number  1 and mass   1.00783
 Atom    14 has atomic number  1 and mass   1.00783
 Atom    15 has atomic number  1 and mass   1.00783
 Atom    16 has atomic number  1 and mass   1.00783
 Atom    17 has atomic number  1 and mass   1.00783
 Molecular mass:    98.07317 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --   407.55100 818.49953 979.10228
           X            0.99920   0.03498   0.01957
           Y           -0.03481   0.99936  -0.00855
           Z           -0.01986   0.00787   0.99977
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Rotational temperatures (Kelvin)      0.21252     0.10582     0.08846
 Rotational constants (GHZ):           4.42826     2.20494     1.84326
 Zero-point vibrational energy     391322.0 (Joules/Mol)
                                   93.52821 (Kcal/Mol)
 Warning -- explicit consideration of   8 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:    106.19   249.49   339.43   504.32   529.20
          (Kelvin)            662.02   685.23   840.61   966.52  1061.05
                             1144.51  1172.27  1275.73  1346.17  1388.39
                             1440.22  1451.94  1498.56  1619.31  1667.22
                             1694.56  1737.71  1772.69  1829.63  1868.77
                             1907.28  1944.81  1984.83  2039.54  2086.53
                             2094.71  2154.68  2159.28  2169.69  2610.81
                             4353.42  4356.76  4372.65  4383.41  4398.45
                             4442.04  4443.00  4451.66  4460.64  4464.50
 
 Zero-point correction=                           0.149047 (Hartree/Particle)
 Thermal correction to Energy=                    0.155949
 Thermal correction to Enthalpy=                  0.156893
 Thermal correction to Gibbs Free Energy=         0.118158
 Sum of electronic and zero-point Energies=           -309.885082
 Sum of electronic and thermal Energies=              -309.878180
 Sum of electronic and thermal Enthalpies=            -309.877235
 Sum of electronic and thermal Free Energies=         -309.915970
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                   97.859             26.109             81.525
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             39.660
 Rotational               0.889              2.981             27.282
 Vibrational             96.082             20.148             14.583
 Vibration     1          0.599              1.966              4.049
 Vibration     2          0.627              1.875              2.398
 Vibration     3          0.655              1.786              1.833
 Vibration     4          0.727              1.574              1.164
 Vibration     5          0.740              1.538              1.089
 Vibration     6          0.818              1.338              0.766
 Vibration     7          0.833              1.303              0.720
 Vibration     8          0.941              1.065              0.478
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.447884D-54        -54.348835       -125.142816
 Total V=0       0.161369D+15         14.207820         32.714714
 Vib (Bot)       0.573491D-67        -67.241474       -154.829215
 Vib (Bot)    1  0.279281D+01          0.446041          1.027048
 Vib (Bot)    2  0.116085D+01          0.064775          0.149150
 Vib (Bot)    3  0.832684D+00         -0.079520         -0.183101
 Vib (Bot)    4  0.526178D+00         -0.278867         -0.642115
 Vib (Bot)    5  0.495720D+00         -0.304763         -0.701743
 Vib (Bot)    6  0.369614D+00         -0.432252         -0.995297
 Vib (Bot)    7  0.352291D+00         -0.453098         -1.043297
 Vib (Bot)    8  0.259703D+00         -0.585524         -1.348218
 Vib (V=0)       0.206624D+02          1.315181          3.028316
 Vib (V=0)    1  0.333721D+01          0.523384          1.205137
 Vib (V=0)    2  0.176395D+01          0.246486          0.567555
 Vib (V=0)    3  0.147127D+01          0.167692          0.386125
 Vib (V=0)    4  0.122585D+01          0.088439          0.203637
 Vib (V=0)    5  0.120409D+01          0.080658          0.185722
 Vib (V=0)    6  0.112178D+01          0.049909          0.114920
 Vib (V=0)    7  0.111164D+01          0.045966          0.105840
 Vib (V=0)    8  0.106342D+01          0.026706          0.061493
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.381750D+08          7.581779         17.457692
 Rotational      0.204578D+06          5.310860         12.228707
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6           0.000016224    0.000001202    0.000001497
      2        6           0.000018832    0.000000088   -0.000012141
      3        6          -0.000004367    0.000006677    0.000011464
      4        6          -0.000023503   -0.000003123   -0.000038861
      5        6          -0.000030882   -0.000017336    0.000016957
      6        8           0.000002542   -0.000000148   -0.000004366
      7        1           0.000003017    0.000006951    0.000001161
      8        1          -0.000000167    0.000000160   -0.000003286
      9        1           0.000000701    0.000004477   -0.000001162
     10        1           0.000002162   -0.000001163    0.000001000
     11        1           0.000002526    0.000000452    0.000001521
     12        6           0.000001922   -0.000007885   -0.000003620
     13        1           0.000001264    0.000003063   -0.000000299
     14        1           0.000000765   -0.000004508    0.000002453
     15        1           0.000006280    0.000008259    0.000018364
     16        1           0.000000289    0.000001524    0.000003994
     17        1           0.000002395    0.000001310    0.000005324
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000038861 RMS     0.000010220
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.093368
 Property number 1 -- Alpha(-w,w) frequency  1    0.093368:
                 1             2             3 
      1   0.813220D+02 -0.967823D+00 -0.153717D+01
      2  -0.967823D+00  0.744172D+02 -0.162384D+01
      3  -0.153717D+01 -0.162384D+01  0.657236D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.093368:
                 1             2             3 
      1   0.312597D+01  0.175895D+00 -0.198438D+01
      2  -0.949189D+01 -0.322244D+01 -0.177742D+02
      3   0.542517D+01  0.136517D+02  0.285669D+01
 Property number 4 -- D-Q polarizability frequency  1    0.093368:
                 1             2             3 
      1  -0.196064D+02 -0.168776D+02 -0.253837D+02
      2   0.104242D+02  0.154016D+02  0.951941D+01
      3   0.918217D+01  0.147604D+01  0.158643D+02
      4  -0.863832D+01 -0.286573D+02 -0.840739D+01
      5  -0.218268D+02 -0.617195D+01 -0.385888D+02
      6   0.892432D-01  0.221179D+01  0.536366D+01
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    51 ND12= 1 LenFil=    1839:
 Frequencies=    0.093368
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1  -0.586263D-01 -0.224665D+01 -0.125651D+01 -0.199902D+01 -0.368360D+01
      2  -0.224665D+01 -0.528095D+01  0.480888D+00 -0.368360D+01 -0.559784D+00
      3  -0.125651D+01  0.480888D+00  0.394799D+00  0.604247D-01 -0.879459D+00
                 6             7             8             9            10 
      1   0.604247D-01 -0.115874D+01 -0.125023D+01  0.819747D+00 -0.630266D+01
      2  -0.879459D+00 -0.125023D+01 -0.246685D-01 -0.114951D+01  0.395022D+01
      3  -0.419398D+00  0.819747D+00 -0.114951D+01  0.524684D+01  0.113560D+01
                11            12            13            14            15 
      1   0.395022D+01  0.113560D+01  0.315971D+01  0.673468D+00 -0.772576D+00
      2   0.356048D+01 -0.225612D+01  0.673468D+00 -0.263100D+01  0.457477D+00
      3  -0.225612D+01  0.491787D+00 -0.772576D+00  0.457477D+00  0.443646D+00
                16            17            18            19            20 
      1   0.160435D+01 -0.923271D+00 -0.427457D+00  0.109773D+01 -0.281056D+01
      2  -0.923271D+00 -0.814914D+00  0.720553D+00 -0.281056D+01 -0.120705D+01
      3  -0.427457D+00  0.720553D+00 -0.346689D-01  0.112519D+01  0.103325D+01
                21            22            23            24            25 
      1   0.112519D+01 -0.183661D+01  0.146467D-01  0.221186D+00 -0.110714D+01
      2   0.103325D+01  0.146467D-01  0.694741D+01  0.121405D+01  0.351278D+00
      3  -0.265714D+01  0.221186D+00  0.121405D+01 -0.191279D+00 -0.168144D+01
                26            27            28            29            30 
      1   0.351278D+00 -0.168144D+01 -0.121679D+01  0.231888D+01 -0.218629D+01
      2   0.230970D+01  0.487399D+00  0.231888D+01 -0.300772D+01  0.980446D+00
      3   0.487399D+00 -0.574783D+01 -0.218629D+01  0.980446D+00  0.413985D+01
                31            32            33            34            35 
      1   0.186519D+01 -0.211555D+01  0.813371D+00 -0.198449D+01  0.651947D+00
      2  -0.211555D+01 -0.488530D+01 -0.863859D+00  0.651947D+00  0.521928D+00
      3   0.813371D+00 -0.863859D+00  0.177646D+01  0.485241D+01  0.192055D+01
                36            37            38            39            40 
      1   0.485241D+01  0.549509D+00 -0.177131D+01  0.243536D+01 -0.705720D+00
      2   0.192055D+01 -0.177131D+01  0.331500D+01 -0.100990D+01  0.353422D+01
      3  -0.636029D+00  0.243536D+01 -0.100990D+01 -0.125390D+01 -0.138556D+01
                41            42            43            44            45 
      1   0.353422D+01 -0.138556D+01  0.260063D+01 -0.202744D+01 -0.973283D+00
      2   0.210094D+01  0.126294D+00 -0.202744D+01 -0.177224D+00 -0.353593D+01
      3   0.126294D+00 -0.235417D+01 -0.973283D+00 -0.353593D+01 -0.496847D+01
                46            47            48            49            50 
      1   0.154269D+02 -0.364464D+01 -0.208974D+01 -0.322408D+01  0.372121D+01
      2  -0.364464D+01  0.153379D+01  0.977759D+00  0.372121D+01 -0.232251D+01
      3  -0.208974D+01  0.977759D+00  0.172203D+01  0.751988D+00 -0.108610D+01
                51            52            53            54            55 
      1   0.751988D+00 -0.225226D+01  0.695615D+00  0.382715D+01 -0.654350D+00
      2  -0.108610D+01  0.695615D+00 -0.432501D+00 -0.148148D+01  0.543682D+00
      3  -0.821060D+00  0.382715D+01 -0.148148D+01 -0.196267D+01 -0.964971D+00
                56            57            58            59            60 
      1   0.543682D+00 -0.964971D+00  0.150447D+00  0.233088D+00  0.103291D+00
      2   0.553945D+00 -0.633196D-01  0.233088D+00  0.943052D+00 -0.104350D+01
      3  -0.633196D-01 -0.342467D+00  0.103291D+00 -0.104350D+01  0.590945D+00
                61            62            63            64            65 
      1  -0.159068D+01  0.321334D+00 -0.109244D+00  0.427155D+01  0.330494D+01
      2   0.321334D+00 -0.226215D+01  0.226188D+01  0.330494D+01  0.449517D+01
      3  -0.109244D+00  0.226188D+01 -0.814867D+01  0.283624D+00 -0.734809D-02
                66            67            68            69            70 
      1   0.283624D+00  0.277121D+01  0.304152D+01  0.755038D-01  0.107979D+01
      2  -0.734809D-02  0.304152D+01  0.612477D+01  0.507019D+00  0.912837D+00
      3   0.634823D+00  0.755038D-01  0.507019D+00  0.914231D+00  0.531059D+00
                71            72            73            74            75 
      1   0.912837D+00  0.531059D+00  0.760742D+00  0.488814D-01  0.140980D+01
      2   0.121633D+01  0.129390D+01  0.488814D-01  0.607056D+00 -0.772958D+00
      3   0.129390D+01 -0.233727D-01  0.140980D+01 -0.772958D+00  0.210059D+01
                76            77            78            79            80 
      1   0.456982D+00  0.933709D-01 -0.117780D+00  0.235127D+01 -0.284544D+00
      2   0.933709D-01 -0.106427D+01  0.116111D+01 -0.284544D+00  0.147194D+01
      3  -0.117780D+00  0.116111D+01 -0.347334D+00  0.142647D+01 -0.187549D+01
                81            82            83            84            85 
      1   0.142647D+01 -0.100652D+00 -0.994911D+00 -0.452252D+00 -0.164345D+01
      2  -0.187549D+01 -0.994911D+00  0.435069D+00 -0.230541D+00 -0.322702D-01
      3   0.953118D+01 -0.452252D+00 -0.230541D+00  0.256812D+00 -0.788639D-01
                86            87            88            89            90 
      1  -0.322702D-01 -0.788639D-01 -0.536675D+00  0.138155D+00  0.393974D-01
      2  -0.952045D+01 -0.327842D+00  0.138155D+00 -0.250337D+01 -0.129379D+01
      3  -0.327842D+00 -0.121704D+01  0.393974D-01 -0.129379D+01  0.225506D+00
                91            92            93            94            95 
      1  -0.499871D+01 -0.101672D+01  0.293790D+01 -0.732303D+00 -0.795477D+00
      2  -0.101672D+01 -0.713994D+00  0.189028D+00 -0.795477D+00 -0.763506D-01
      3   0.293790D+01  0.189028D+00 -0.354160D+01  0.154227D+00  0.106448D+01
                96            97            98            99           100 
      1   0.154227D+00  0.332482D+01  0.403472D+00 -0.362276D+01  0.359481D+01
      2   0.106448D+01  0.403472D+00  0.976053D+00 -0.807016D+00 -0.265124D+01
      3  -0.798659D+00 -0.362276D+01 -0.807016D+00  0.546772D+01  0.191543D+01
               101           102           103           104           105 
      1  -0.265124D+01  0.191543D+01 -0.331368D+01  0.412555D+01 -0.122844D+01
      2   0.297046D+01 -0.109208D+01  0.412555D+01  0.604160D+01  0.745332D+00
      3  -0.109208D+01 -0.348931D+01 -0.122844D+01  0.745332D+00 -0.148760D+01
               106           107           108           109           110 
      1   0.140920D+01 -0.121391D+01 -0.392279D+01  0.496595D+00  0.775355D+00
      2  -0.121391D+01 -0.651610D+00 -0.148576D+01  0.775355D+00  0.512858D-01
      3  -0.392279D+01 -0.148576D+01  0.132551D+01  0.788444D+00  0.368039D+00
               111           112           113           114           115 
      1   0.788444D+00  0.691566D+00 -0.285427D+00  0.561363D-01  0.117345D+01
      2   0.368039D+00 -0.285427D+00  0.224906D+01  0.218525D+01  0.428891D+00
      3   0.744587D+00  0.561363D-01  0.218525D+01  0.236755D+01  0.700163D-01
               116           117           118           119           120 
      1   0.428891D+00  0.700163D-01 -0.468060D+01  0.307437D+01 -0.122304D+01
      2   0.308620D+01  0.366783D+01  0.307437D+01 -0.367427D+01  0.673109D+00
      3   0.366783D+01  0.756373D+01 -0.122304D+01  0.673109D+00 -0.915145D+00
               121           122           123           124           125 
      1   0.245365D+01 -0.287694D+01  0.597034D+00 -0.190997D+01  0.123825D+01
      2  -0.287694D+01  0.430564D+01 -0.821392D+00  0.123825D+01 -0.184529D+01
      3   0.597034D+00 -0.821392D+00  0.118908D+01 -0.105264D+01  0.161909D+01
               126           127           128           129           130 
      1  -0.105264D+01  0.196032D+01  0.562407D+00 -0.132979D+01  0.601004D+00
      2   0.161909D+01  0.562407D+00  0.521574D+00  0.322505D+00  0.692789D-02
      3  -0.616137D+00 -0.132979D+01  0.322505D+00  0.296401D+01  0.105857D+00
               131           132           133           134           135 
      1   0.692789D-02  0.105857D+00 -0.190278D+01 -0.643833D-01  0.136137D+01
      2  -0.480065D+00 -0.832094D+00 -0.643833D-01 -0.977887D+00 -0.117774D+00
      3  -0.832094D+00  0.417264D+00  0.136137D+01 -0.117774D+00 -0.602405D+01
               136           137           138           139           140 
      1  -0.800286D+01  0.211846D+01 -0.212349D+01  0.382820D+01 -0.225692D+01
      2   0.211846D+01 -0.204061D+01  0.469059D+00 -0.225692D+01  0.138978D+01
      3  -0.212349D+01  0.469059D+00 -0.125535D+01  0.123740D+01 -0.578594D+00
               141           142           143           144           145 
      1   0.123740D+01 -0.123644D+01  0.533236D+00 -0.106495D+01 -0.214288D+01
      2  -0.578594D+00  0.533236D+00 -0.122348D+00  0.636998D+00 -0.156117D+01
      3   0.131045D+01 -0.106495D+01  0.636998D+00 -0.100135D+01 -0.405266D+00
               146           147           148           149           150 
      1  -0.156117D+01 -0.405266D+00 -0.252310D+01 -0.339782D+01 -0.593201D+00
      2  -0.211924D+01 -0.618237D-01 -0.339782D+01 -0.856252D+01 -0.102817D+01
      3  -0.618237D-01  0.564010D-02 -0.593201D+00 -0.102817D+01 -0.137309D+01
               151           152           153 
      1   0.135678D+00  0.887653D-01 -0.730541D-01
      2   0.887653D-01  0.229807D+00 -0.861451D+00
      3  -0.730541D-01 -0.861451D+00 -0.197235D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1   0.535935D+01  0.472709D+01 -0.175771D+01  0.196380D+01  0.306320D+01
      2  -0.987134D+00 -0.149179D+01  0.131900D+01 -0.189135D+01 -0.336109D+01
      3   0.462483D+01  0.496350D+00 -0.460005D+01  0.636898D+01 -0.432336D+01
                 6             7             8             9            10 
      1  -0.441912D+01 -0.458830D+01  0.553745D+01 -0.766844D+01 -0.359666D+01
      2  -0.107413D+01 -0.321911D+01 -0.306271D+01  0.815564D+01 -0.389725D+01
      3  -0.294848D+00 -0.350804D+01 -0.360247D+01  0.436194D+01  0.171511D+01
                11            12            13            14            15 
      1   0.827062D+01 -0.326602D+01  0.586047D+01  0.534378D+01  0.481625D+00
      2  -0.802035D+01 -0.544481D+01 -0.434697D+01  0.478785D-01  0.220777D+01
      3  -0.349571D+01  0.448239D+01  0.630567D+00 -0.132217D+01 -0.186538D+01
                16            17            18            19            20 
      1   0.265522D+01  0.175608D+02 -0.674488D+01 -0.516387D+00 -0.241358D+00
      2  -0.123701D+02 -0.192707D+01  0.662584D+01 -0.422629D+01  0.469144D+01
      3   0.246149D+01 -0.536827D+01 -0.621539D-02 -0.495489D+00  0.363869D+01
                21            22            23            24            25 
      1  -0.520928D+01  0.124717D+01  0.953963D+01 -0.277192D+01 -0.670512D+00
      2   0.133641D+01  0.393533D+01 -0.841162D+00  0.259520D+01 -0.467782D+01
      3  -0.234321D+01  0.819278D+01 -0.625347D+01  0.108371D+01 -0.122445D+01
                26            27            28            29            30 
      1   0.584832D+01 -0.841219D+01  0.156416D+01 -0.190815D+01  0.996735D+00
      2   0.116338D+01 -0.219836D+01  0.859107D+01 -0.204613D+01 -0.161432D+01
      3   0.801063D+00  0.168382D+01  0.496129D+01 -0.910827D+01  0.175142D+01
                31            32            33            34            35 
      1  -0.281425D+01 -0.323839D+01 -0.320889D+01 -0.632060D+00  0.482836D+01
      2  -0.382449D+01  0.124226D+01 -0.222535D+01 -0.909611D+01 -0.420023D+01
      3  -0.284446D+01 -0.688531D+01  0.326011D-02  0.923941D+00 -0.109004D+00
                36            37            38            39            40 
      1   0.467046D+00 -0.411020D+01  0.540735D+01  0.187565D+01  0.576655D+01
      2   0.473841D+00 -0.684189D+01  0.371227D+01  0.191785D+01  0.266569D+01
      3   0.122490D+01 -0.514947D+01 -0.128680D+01  0.321996D+01  0.507167D+01
                41            42            43            44            45 
      1   0.279139D+01  0.204979D+01  0.171851D+01  0.962432D+01  0.494547D+01
      2  -0.240397D+01  0.258841D+01 -0.436541D+01  0.512458D+01  0.414322D+01
      3   0.857517D+01 -0.176437D+01  0.329955D+01 -0.358389D+01 -0.394473D+01
                46            47            48            49            50 
      1   0.171317D+01 -0.520101D+01  0.398042D+01 -0.175873D+01  0.101567D-01
      2  -0.977548D+00  0.174778D+01  0.129827D+02  0.158223D+01 -0.128917D+01
      3  -0.199576D+01 -0.125813D+02 -0.189028D+00 -0.875277D+00  0.622780D+01
                51            52            53            54            55 
      1  -0.279558D+01 -0.668140D+00 -0.325204D+01  0.137432D+01  0.132272D+00
      2  -0.392925D+01  0.433138D+01  0.123406D+00 -0.608042D+01 -0.197022D+01
      3   0.860236D+00  0.169312D+01  0.416562D+01  0.391718D+00 -0.185268D+01
                56            57            58            59            60 
      1   0.102014D+01  0.796507D+00  0.146357D+01  0.956715D-01 -0.675507D+00
      2   0.240084D+00 -0.372748D-01 -0.145860D+00 -0.600393D+00  0.938974D-02
      3  -0.114222D+01 -0.614504D+00  0.520835D+00  0.768719D+00  0.277835D+00
                61            62            63            64            65 
      1   0.980835D+00 -0.280809D+01  0.146874D+02 -0.172706D+01 -0.587528D+01
      2  -0.331278D+01  0.308992D+01 -0.967317D+01  0.220634D+01  0.245446D+01
      3  -0.281876D+01  0.317552D+01 -0.242034D+01  0.404223D+01 -0.398532D+00
                66            67            68            69            70 
      1  -0.149464D+01 -0.249309D+01 -0.460909D+01 -0.281666D+01 -0.145942D+01
      2   0.228748D+01  0.191697D+01  0.340282D+01  0.150421D+01  0.260400D+00
      3   0.601423D+00  0.453191D+01 -0.152376D+00 -0.411862D+00  0.163365D+01
                71            72            73            74            75 
      1  -0.200330D+01 -0.617775D+00 -0.241057D+00 -0.127757D+01  0.455467D+01
      2   0.182109D+01  0.195049D+00  0.105170D+01  0.288396D-02 -0.677923D+00
      3  -0.760962D-01 -0.194055D+00 -0.136961D+00 -0.179378D+01 -0.145328D+01
                76            77            78            79            80 
      1  -0.130607D+01  0.130718D+00  0.299442D+00  0.107531D+01 -0.511982D+00
      2  -0.742138D+00  0.109925D+00  0.737429D-02 -0.388765D+01  0.446918D+00
      3   0.386201D+00  0.212811D+00 -0.430313D-01 -0.265418D+01  0.300073D+00
                81            82            83            84            85 
      1   0.123816D+02  0.446633D-01  0.153473D+00 -0.532802D+00 -0.165928D+01
      2   0.798690D+00 -0.102408D+01 -0.635383D-01  0.169463D+01  0.148415D+01
      3  -0.233708D+01  0.424726D+00 -0.124196D+01  0.925408D+00  0.566527D+01
                86            87            88            89            90 
      1  -0.118002D+02 -0.363746D+01 -0.478108D+00 -0.333295D+01 -0.146348D+01
      2   0.248865D+00 -0.671948D+00 -0.237542D+00  0.431656D-01 -0.352286D+00
      3   0.295656D+01 -0.919440D-01  0.199379D+01  0.114359D+01  0.204013D+00
                91            92            93            94            95 
      1  -0.632811D+00 -0.167642D+01 -0.696582D+00 -0.368959D+00  0.125905D+00
      2   0.411927D+00  0.371871D+00  0.446853D+01  0.463844D+00 -0.934324D+00
      3   0.321302D+00 -0.267619D+01 -0.716357D+00  0.511073D+00 -0.319080D-01
                96            97            98            99           100 
      1  -0.275610D+00  0.396409D+00  0.272891D+01 -0.554500D-02  0.503170D+01
      2   0.145661D+01  0.231763D+00  0.929020D+00 -0.565566D+01 -0.134204D+00
      3   0.145083D+01 -0.102170D+01  0.284865D+01 -0.187511D+00 -0.949912D+01
               101           102           103           104           105 
      1  -0.469952D+01 -0.254021D+01 -0.698609D+01 -0.695744D+01 -0.472864D+01
      2   0.128738D+00  0.142417D+02  0.259935D+00  0.276017D+01  0.203104D+01
      3   0.741140D+01 -0.430442D+01  0.142474D+02  0.107974D+02  0.230007D+01
               106           107           108           109           110 
      1  -0.159676D+01  0.330845D+00  0.362316D+01  0.234827D+00 -0.748751D+00
      2   0.797859D+01  0.222258D+01 -0.749921D+01 -0.870700D+00 -0.106532D+01
      3  -0.399301D+01  0.468200D+00 -0.479121D+00  0.190076D+01  0.170059D+00
               111           112           113           114           115 
      1  -0.820524D+00 -0.321438D+00 -0.125846D+01 -0.356802D+01 -0.824285D-01
      2  -0.131049D-01 -0.137182D+01 -0.148117D+01 -0.197768D+01 -0.315015D+01
      3   0.127211D+01  0.209925D+01  0.630114D+00  0.208821D+01  0.300571D+01
               116           117           118           119           120 
      1  -0.626686D+00 -0.101225D+02  0.265844D+01 -0.196800D+01  0.267743D+01
      2  -0.302479D+01 -0.613969D+01  0.337074D+01 -0.246033D+01  0.319098D+01
      3   0.309293D+01  0.255278D+01 -0.575984D+01 -0.115661D+01 -0.120889D+01
               121           122           123           124           125 
      1  -0.235109D+01  0.278496D+01 -0.381474D+01  0.167969D+01 -0.171039D+01
      2  -0.157064D+01  0.227854D+01 -0.230044D+01  0.101367D+01 -0.246904D+01
      3   0.358224D+01 -0.124526D+00  0.890960D-01 -0.300650D+01 -0.108346D+01
               126           127           128           129           130 
      1   0.223070D+01 -0.247308D+01 -0.177989D+01  0.257874D+01 -0.509117D+00
      2   0.182073D+01  0.724146D+01  0.780229D+00 -0.695766D+01  0.127512D+01
      3   0.110409D+00 -0.922308D+00 -0.491608D+00  0.142245D+01  0.533131D+00
               131           132           133           134           135 
      1  -0.591835D+00  0.331445D+00  0.207228D+01  0.318730D+01 -0.487098D+01
      2   0.191545D+01 -0.768072D+00 -0.863618D+01 -0.363519D+00  0.138897D+02
      3  -0.690832D+00 -0.145505D+01  0.124085D+01 -0.123463D+01 -0.131533D+01
               136           137           138           139           140 
      1  -0.416580D+01  0.336023D+01 -0.743781D+00  0.280525D+01 -0.228186D+01
      2  -0.249715D+01  0.109014D+01  0.349574D+01  0.119295D+01 -0.651131D+00
      3   0.928914D+01 -0.884877D+01  0.248601D+01 -0.582528D+01  0.576609D+01
               141           142           143           144           145 
      1   0.128312D+00 -0.117193D+01  0.166129D+01 -0.127442D+01  0.724479D+00
      2  -0.294981D+01 -0.629394D+00 -0.108426D+01  0.185377D+01 -0.215705D+00
      3  -0.166413D+01  0.223663D+01 -0.115905D+01  0.231824D+01 -0.984376D+00
               146           147           148           149           150 
      1   0.243706D+01 -0.398624D+00  0.223023D+01  0.766406D+01 -0.344108D+01
      2  -0.884612D+00  0.672691D+00 -0.882958D+00 -0.443496D+00  0.349668D+01
      3  -0.470199D+01  0.809642D-01 -0.213517D+01 -0.166343D+02 -0.133137D+01
               151           152           153 
      1   0.286009D+00  0.145098D+00  0.658090D+00
      2  -0.894628D+00  0.165116D+01  0.411020D+00
      3  -0.262096D+00  0.221233D+00 -0.196344D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1   0.274008D+00  0.219152D+01  0.693510D+00 -0.400685D+01 -0.490617D+01
      2  -0.536044D+01 -0.166507D+02  0.749165D+00 -0.740860D+01  0.371164D+00
      3   0.508643D+01  0.144592D+02 -0.144267D+01  0.114155D+02  0.453501D+01
      4  -0.742552D+01 -0.155142D+02 -0.335681D+01 -0.696094D+01 -0.164435D+02
      5  -0.868711D-01 -0.235162D+01  0.330968D+00 -0.183184D+01 -0.181324D+01
      6  -0.395756D+01 -0.679767D+00  0.314285D+01 -0.227366D+01 -0.430932D+01
                 6             7             8             9            10 
      1   0.211314D+01  0.527152D+01 -0.507495D+01  0.114675D+02 -0.412263D+02
      2  -0.370138D+01 -0.322931D+01 -0.564895D+01  0.399979D+01  0.209846D+02
      3   0.158824D+01 -0.204221D+01  0.107239D+02 -0.154673D+02  0.202416D+02
      4  -0.156806D+01 -0.771038D+01 -0.175895D+00 -0.374746D+01  0.179012D+02
      5  -0.124532D+01 -0.398689D+00 -0.124177D+01  0.441727D+01  0.958048D+01
      6   0.359958D+01  0.337691D+01 -0.420978D+01  0.165501D+02 -0.465205D+01
                11            12            13            14            15 
      1   0.671740D+01  0.141473D+01  0.159596D+02  0.179544D+00 -0.502159D+01
      2   0.279364D+01 -0.571308D+01 -0.995755D+01 -0.197996D+01  0.200749D+01
      3  -0.951104D+01  0.429835D+01 -0.600200D+01  0.180041D+01  0.301410D+01
      4  -0.111260D+02 -0.284278D+01 -0.195598D+01  0.257051D+01  0.123353D+01
      5  -0.195162D+01 -0.105875D+02 -0.246912D+01  0.205218D+01  0.478472D+01
      6   0.705251D+01  0.350227D+01  0.240073D+01  0.744973D+00 -0.364497D+01
                16            17            18            19            20 
      1   0.108614D+02 -0.424752D+01 -0.695492D+01 -0.183192D+01 -0.334046D+01
      2  -0.531397D+01  0.233681D+01 -0.130049D+01  0.371677D+01  0.186019D+01
      3  -0.554746D+01  0.191071D+01  0.825541D+01 -0.188485D+01  0.148026D+01
      4  -0.214031D+01  0.580287D+01  0.304282D+01  0.299738D+00  0.193613D+01
      5   0.189930D+01  0.113651D+01  0.742664D+01 -0.497915D+01 -0.807358D+00
      6   0.188091D+01  0.376877D+00  0.298040D+00 -0.325997D+01 -0.331150D+01
                21            22            23            24            25 
      1   0.598290D+01  0.459981D+01  0.791352D+01  0.310988D+01  0.407668D-01
      2   0.342116D+01 -0.394125D+01 -0.208245D+02 -0.308444D+01  0.189222D+01
      3  -0.940406D+01 -0.658560D+00  0.129109D+02 -0.254346D-01 -0.193298D+01
      4  -0.113875D+00 -0.417186D+00  0.314119D+01 -0.449497D+00 -0.835636D+00
      5   0.342579D+00 -0.130407D+01 -0.237906D+00  0.372211D+01  0.340340D+01
      6   0.596979D+01  0.516907D+00 -0.385901D+01  0.354072D+01  0.137479D+01
                26            27            28            29            30 
      1   0.101433D+01  0.199337D+02  0.141307D+00 -0.422628D+01  0.630776D+01
      2  -0.874856D+01  0.488449D+01  0.370895D+01  0.151402D+01 -0.536507D+01
      3   0.773423D+01 -0.248182D+02 -0.385025D+01  0.271226D+01 -0.942692D+00
      4  -0.204810D+01  0.351063D+01 -0.439461D+01  0.260408D+01 -0.172094D+01
      5   0.290325D+01 -0.110823D+02  0.139671D+02  0.114638D+01 -0.185416D+02
      6   0.231294D+00  0.122041D+02  0.243311D+01 -0.156826D+01 -0.465089D+01
                31            32            33            34            35 
      1  -0.744029D+01  0.681943D+01 -0.356279D+01  0.184700D+01 -0.375365D+01
      2   0.512569D+01 -0.328665D+01  0.228803D+01 -0.538743D+01  0.911537D+00
      3   0.231460D+01 -0.353277D+01  0.127476D+01  0.354043D+01  0.284212D+01
      4   0.484283D+01  0.748004D+01  0.870211D+00 -0.509668D+01 -0.258519D+01
      5  -0.879563D+00  0.129234D+01 -0.565598D+01 -0.219371D+02 -0.749970D+01
      6   0.107038D+01 -0.826580D+00 -0.179223D+01 -0.509538D+01 -0.757816D-01
                36            37            38            39            40 
      1  -0.167396D+02 -0.295783D+01  0.221295D+01 -0.512751D+00  0.340709D+01
      2   0.136293D+02 -0.459446D+01  0.936942D+01 -0.137402D+01  0.750366D+01
      3   0.311030D+01  0.755230D+01 -0.115824D+02  0.188677D+01 -0.109107D+02
      4  -0.905444D+01  0.532326D+01 -0.135842D+02  0.820923D+01 -0.112859D+02
      5   0.115764D+02 -0.713052D+01  0.356366D+01  0.156572D+01  0.122374D+01
      6   0.177624D+01  0.542763D+01 -0.450130D+01 -0.332176D+01 -0.403730D+01
                41            42            43            44            45 
      1  -0.528529D+01  0.624499D+01 -0.113392D+01  0.102277D+02  0.151101D+02
      2   0.648000D+01  0.186951D+01 -0.205822D+01  0.272063D+01 -0.568141D+01
      3  -0.119471D+01 -0.811450D+01  0.319215D+01 -0.129483D+02 -0.942873D+01
      4   0.731213D+01 -0.310195D+01  0.128174D+02 -0.232918D+01  0.737083D+01
      5  -0.248686D+01  0.185208D+01  0.289091D+01  0.472069D+01  0.234777D+01
      6   0.159320D+01 -0.998776D+01 -0.605087D+00 -0.120213D+02 -0.204409D+02
                46            47            48            49            50 
      1   0.863054D+02 -0.129712D+02 -0.633440D+01 -0.142678D+02  0.989160D+01
      2  -0.452873D+02  0.312622D+01  0.600699D+01  0.471754D+01  0.434834D-01
      3  -0.410181D+02  0.984501D+01  0.327412D+00  0.955022D+01 -0.993508D+01
      4  -0.259409D+02  0.229598D+02  0.450426D+01  0.238918D+02 -0.156823D+02
      5  -0.116714D+02  0.313784D+01  0.215902D+02  0.435061D+01 -0.416020D+01
      6   0.789959D+01 -0.441204D+01 -0.551045D+01 -0.450462D+01  0.432455D+01
                51            52            53            54            55 
      1   0.178993D+01 -0.807622D+01  0.209152D+01  0.107325D+02 -0.250861D+01
      2  -0.107962D+01  0.662809D+01 -0.295458D-01 -0.108326D+02 -0.603377D+00
      3  -0.710306D+00  0.144813D+01 -0.206198D+01  0.100027D+00  0.311199D+01
      4  -0.519958D+01  0.573226D+01 -0.543939D+01 -0.747172D+01  0.336705D+00
      5  -0.653277D+01  0.230455D+02 -0.676525D+01 -0.122129D+02 -0.377009D+00
      6   0.704108D+01 -0.596388D+01  0.790514D+01  0.398856D+01 -0.269211D+01
                56            57            58            59            60 
      1   0.706997D+00 -0.161194D+01  0.834489D-01 -0.494674D+01  0.332814D+01
      2   0.827258D+00  0.486065D+00  0.787760D+00  0.388850D+01 -0.392069D+01
      3  -0.153425D+01  0.112588D+01 -0.871209D+00  0.105824D+01  0.592552D+00
      4   0.481176D+01 -0.240372D+01  0.215395D+01  0.280298D+01 -0.102826D+01
      5  -0.115485D+01  0.504139D+01  0.453173D+00 -0.426277D+00 -0.375004D+00
      6  -0.173962D+00 -0.181139D+01 -0.139941D+00 -0.461020D+01  0.683313D+01
                61            62            63            64            65 
      1  -0.343778D+01  0.950711D+01 -0.201235D+02  0.815269D+01 -0.775528D-01
      2   0.152073D+01 -0.303883D+01 -0.866128D+01  0.486768D+01  0.129811D+02
      3   0.191706D+01 -0.646828D+01  0.287848D+02 -0.130204D+02 -0.129035D+02
      4  -0.265530D+01 -0.328888D+01  0.491693D+01  0.210962D+02  0.242624D+02
      5   0.475136D+01  0.216964D+01 -0.786628D+01  0.122387D+01  0.732049D+00
      6  -0.241031D+00  0.122635D+02 -0.248351D+02  0.118483D+01  0.669443D+00
                66            67            68            69            70 
      1   0.371390D+00 -0.554711D+00 -0.915229D+01  0.128127D+00  0.727954D+00
      2   0.113416D+00  0.108100D+02  0.264699D+02  0.166835D+01  0.968259D+00
      3  -0.484806D+00 -0.102553D+02 -0.173176D+02 -0.179648D+01 -0.169621D+01
      4   0.109690D+01  0.170925D+02  0.246965D+02  0.162518D+01  0.490628D+01
      5   0.393591D+01  0.842618D+00  0.241135D+01  0.217350D+01  0.358759D+01
      6   0.303359D+01  0.398368D+00  0.141875D+01  0.509346D+01  0.335750D+01
                71            72            73            74            75 
      1  -0.209532D+00 -0.301438D+01  0.194962D+00  0.248353D+01 -0.413096D+01
      2   0.492258D+01  0.263714D+01 -0.417469D+01 -0.486752D+00 -0.324272D+01
      3  -0.471305D+01  0.377237D+00  0.397973D+01 -0.199678D+01  0.737368D+01
      4   0.456580D+01  0.548574D+01 -0.160649D+01  0.328344D+01 -0.409901D+01
      5   0.426436D+01  0.157911D+01  0.544378D+01 -0.247425D+01  0.980905D+01
      6   0.749544D+01  0.368260D+00 -0.282031D+01  0.318990D+01 -0.540643D+01
                76            77            78            79            80 
      1   0.159669D+00 -0.645609D+01  0.257298D+01 -0.163745D+01  0.716661D+01
      2   0.566085D+00  0.401553D+01 -0.357932D+01 -0.247965D+01 -0.502214D+00
      3  -0.725754D+00  0.244056D+01  0.100634D+01  0.411710D+01 -0.666440D+01
      4   0.125278D+01 -0.531394D+00  0.135096D+01 -0.400763D+01  0.205336D+01
      5   0.327305D+00  0.156722D+01 -0.173496D+00  0.631802D+01 -0.245753D+01
      6   0.140778D+01 -0.383595D+01  0.698309D+01 -0.281752D+01  0.101932D+02
                81            82            83            84            85 
      1  -0.275489D+02  0.141921D+00  0.501902D+00 -0.111337D+01 -0.132788D+01
      2  -0.141070D+02  0.310467D+01 -0.114530D+01  0.581883D+00  0.135971D+01
      3   0.416559D+02 -0.324659D+01  0.643399D+00  0.531487D+00 -0.318372D-01
      4  -0.346448D+01 -0.192419D+00  0.854159D+01  0.533892D+00  0.652257D+01
      5   0.119859D+02 -0.683800D+00 -0.117115D+01  0.193147D+01 -0.267555D+00
      6  -0.211965D+02  0.700744D+00  0.490296D+00 -0.293614D+00  0.560666D+00
                86            87            88            89            90 
      1  -0.248690D+02  0.594976D+00 -0.273868D+00 -0.342082D+01 -0.580303D+01
      2   0.443365D+02  0.189783D+01  0.701472D-01  0.858229D+01  0.378302D+01
      3  -0.194676D+02 -0.249281D+01  0.203721D+00 -0.516147D+01  0.202001D+01
      4  -0.167703D+01  0.587551D-01  0.230663D+01 -0.134106D+01 -0.267438D+00
      5   0.310164D+00 -0.569416D+00  0.814800D+00 -0.188832D+00  0.777749D+00
      6  -0.368718D+01  0.612109D+01  0.171912D+00  0.662695D+01  0.497774D+00
                91            92            93            94            95 
      1   0.175836D+02  0.247592D+01 -0.844979D+01  0.249572D+01  0.266593D+00
      2  -0.154413D+02 -0.207999D+01  0.101205D+02 -0.158024D+01 -0.745661D-01
      3  -0.214230D+01 -0.395929D+00 -0.167070D+01 -0.915481D+00 -0.192027D+00
      4   0.537685D+01  0.512743D+01 -0.212947D+01  0.572536D+01  0.135011D+01
      5  -0.212153D+02 -0.237544D+01  0.210742D+02 -0.209296D+01 -0.561273D+01
      6  -0.285174D+01 -0.242766D+01  0.352967D+01 -0.293541D+01 -0.205025D+01
                96            97            98            99           100 
      1  -0.763906D-01 -0.715622D+01 -0.122962D+00  0.263692D+01 -0.194233D+02
      2   0.131250D+00  0.119966D+02  0.125131D+01 -0.161702D+02  0.123235D+02
      3  -0.548594D-01 -0.484041D+01 -0.112835D+01  0.135333D+02  0.709979D+01
      4  -0.418396D+01 -0.248413D+01 -0.338499D+01  0.321813D+01  0.117851D+02
      5   0.330723D+01  0.218623D+02  0.365467D+01 -0.274111D+02 -0.117736D+02
      6   0.576234D+01  0.298572D+01  0.488000D+01 -0.529980D+01  0.340859D+01
               101           102           103           104           105 
      1   0.163031D+02 -0.169990D+02  0.214854D+02 -0.109185D+02  0.484643D+01
      2  -0.148060D+02  0.647448D-01 -0.196056D+02 -0.101348D+02 -0.597879D+01
      3  -0.149706D+01  0.169342D+02 -0.187978D+01  0.210534D+02  0.113236D+01
      4  -0.118707D+02  0.289323D+01 -0.175353D+02 -0.275517D+02 -0.227721D+01
      5   0.736114D+01  0.825974D+01  0.920439D+01 -0.480087D+01  0.585712D+01
      6  -0.355998D+01  0.631536D+01 -0.490583D+01 -0.562800D+01  0.253578D+01
               106           107           108           109           110 
      1  -0.128026D+02  0.448457D+01  0.188534D+02 -0.144707D+01 -0.280996D+01
      2   0.314407D+00 -0.405382D+01 -0.464831D+01  0.268750D+00  0.105858D+01
      3   0.124882D+02 -0.430749D+00 -0.142051D+02  0.117832D+01  0.175138D+01
      4   0.472560D+01  0.198254D+01  0.106959D+02 -0.405890D+00  0.491895D+01
      5   0.956179D+01  0.656536D+01  0.253077D+01  0.507041D+00  0.187288D+01
      6   0.674578D+01  0.169563D+01  0.227759D+00  0.359557D+01  0.238156D+01
               111           112           113           114           115 
      1  -0.266777D+01 -0.687053D+00 -0.960742D+01 -0.904231D+01 -0.209653D+01
      2   0.125010D+01 -0.607181D+00  0.857081D+01  0.597767D+01  0.117409D+01
      3   0.141767D+01  0.129423D+01  0.103661D+01  0.306464D+01  0.922443D+00
      4   0.259885D+01  0.430631D+01 -0.351008D+01 -0.221903D+01  0.321961D+01
      5   0.495912D+01  0.114527D+01 -0.183286D+01 -0.197139D+01  0.431113D+01
      6   0.332703D+01  0.519669D+00  0.124472D+02  0.146374D+02 -0.460951D+00
               116           117           118           119           120 
      1  -0.132050D+02 -0.217131D+02  0.104198D+02 -0.152488D+01  0.200936D+01
      2   0.644584D+01 -0.135486D+01  0.336837D+01 -0.996311D+01  0.804499D+00
      3   0.675915D+01  0.230680D+02 -0.137882D+02  0.114880D+02 -0.281386D+01
      4  -0.469975D+01 -0.553992D+01 -0.215183D+02  0.202157D+02 -0.534444D+01
      5  -0.415291D+01 -0.734274D+01  0.392241D+01 -0.212172D+01  0.438589D+01
      6   0.188871D+02  0.301227D+02 -0.352505D+01  0.188284D+01 -0.368192D+01
               121           122           123           124           125 
      1  -0.119279D+01 -0.405525D+01 -0.233437D-01  0.218646D+01  0.627421D+00
      2  -0.896418D+01  0.175001D+02 -0.359662D+01  0.156527D+01 -0.652164D+01
      3   0.101570D+02 -0.134448D+02  0.361996D+01 -0.375173D+01  0.589422D+01
      4   0.169122D+02 -0.198900D+02  0.410075D+01 -0.866670D+01  0.824256D+01
      5  -0.180721D+01  0.231384D+01 -0.263169D+01  0.510673D+01 -0.420195D+01
      6   0.183973D+01 -0.360087D+01  0.618523D+01 -0.407907D+01  0.745598D+01
               126           127           128           129           130 
      1  -0.173341D+01 -0.527705D+01 -0.122401D+01  0.110190D+02 -0.289426D+01
      2   0.258090D+01 -0.620666D+00  0.853340D+00  0.170721D+01  0.232002D+01
      3  -0.847495D+00  0.589772D+01  0.370674D+00 -0.127262D+02  0.574235D+00
      4  -0.640141D+01 -0.395428D+01  0.974708D-01  0.124204D+01  0.239282D+01
      5   0.373454D+01 -0.202197D+01 -0.147470D+01 -0.271996D+01 -0.133606D+01
      6  -0.288262D+01  0.676264D+00 -0.242694D+01 -0.415804D+01 -0.826531D+00
               131           132           133           134           135 
      1  -0.204893D+01 -0.512261D+00  0.109824D+02 -0.953517D+00 -0.202216D+02
      2   0.153837D+01  0.213881D+01 -0.831752D+00  0.144318D+01 -0.884546D+01
      3   0.510563D+00 -0.162655D+01 -0.101506D+02 -0.489668D+00  0.290671D+02
      4   0.234931D+01  0.196563D+01  0.245505D+01  0.260241D+01 -0.282418D+01
      5   0.147085D+01 -0.165634D+01  0.269344D+01  0.132413D+00  0.111453D+02
      6   0.104260D+01  0.393990D+01 -0.159931D+01  0.451684D+01  0.661151D+01
               136           137           138           139           140 
      1   0.504901D+02 -0.135737D+02  0.100520D+02 -0.218540D+02  0.103117D+02
      2  -0.294918D+02  0.889292D+01 -0.798232D+01  0.129379D+02 -0.339614D+01
      3  -0.209983D+02  0.468079D+01 -0.206968D+01  0.891606D+01 -0.691551D+01
      4  -0.866786D+01  0.116820D+02 -0.163899D+01  0.124057D+02 -0.810651D+01
      5   0.199911D+02 -0.520252D+01  0.117963D+02 -0.999461D+01  0.498022D+01
      6  -0.324917D+01  0.410648D+01 -0.113641D+01  0.419025D+01 -0.317046D+01
               141           142           143           144           145 
      1  -0.437419D+01  0.639418D+01 -0.178362D+01  0.410694D+01  0.939750D+01
      2   0.454180D+01 -0.596193D+01  0.251626D+01 -0.588118D+01 -0.983911D+00
      3  -0.167610D+00 -0.432246D+00 -0.732636D+00  0.177425D+01 -0.841359D+01
      4   0.284686D+01 -0.153736D+01  0.842834D+00 -0.344714D+01  0.110193D+02
      5  -0.749491D+01  0.108677D+02 -0.469559D+01  0.644966D+01  0.376677D+01
      6   0.176702D+01 -0.165002D+01  0.199104D+01 -0.701624D+00  0.168164D+01
               146           147           148           149           150 
      1   0.486437D+01  0.191975D+01  0.668007D+01 -0.274808D+01 -0.103315D+01
      2   0.250040D+01 -0.603726D+00  0.464580D+01  0.257052D+02  0.255015D+00
      3  -0.736477D+01 -0.131603D+01 -0.113259D+02 -0.229571D+02  0.778137D+00
      4   0.160717D+02  0.947796D+00  0.219785D+02  0.407219D+02  0.443849D+01
      5   0.164743D+01  0.255031D+01  0.443589D+01  0.497277D+01  0.660955D+01
      6   0.328839D+01  0.115035D+01  0.518165D+01  0.123827D+02  0.710881D+01
               151           152           153 
      1  -0.672323D+00 -0.126510D+01 -0.280434D+01
      2   0.157217D+00 -0.150433D+01  0.215241D+01
      3   0.515106D+00  0.276943D+01  0.651930D+00
      4  -0.102866D+01 -0.799930D+00  0.397726D+01
      5   0.254385D+01  0.468881D+01  0.407009D+00
      6   0.165091D+01  0.620502D+01  0.108764D+01
 Leave Link  716 at Fri Jul 16 13:20:09 2021, MaxMem=  5637144576 cpu:               3.8 elap:               0.6
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.093368
 Property number 1 -- Alpha(-w,w) frequency  1    0.093368:
                 1             2             3 
      1   0.813220D+02 -0.967823D+00 -0.153717D+01
      2  -0.967823D+00  0.744172D+02 -0.162384D+01
      3  -0.153717D+01 -0.162384D+01  0.657236D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.093368:
                 1             2             3 
      1   0.312597D+01  0.175895D+00 -0.198438D+01
      2  -0.949189D+01 -0.322244D+01 -0.177742D+02
      3   0.542517D+01  0.136517D+02  0.285669D+01
 Property number 4 -- D-Q polarizability frequency  1    0.093368:
                 1             2             3 
      1  -0.196064D+02 -0.168776D+02 -0.253837D+02
      2   0.104242D+02  0.154016D+02  0.951941D+01
      3   0.918217D+01  0.147604D+01  0.158643D+02
      4  -0.863832D+01 -0.286573D+02 -0.840739D+01
      5  -0.218268D+02 -0.617195D+01 -0.385888D+02
      6   0.892432D-01  0.221179D+01  0.536366D+01
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    51 ND12= 1 LenFil=    1839:
 Frequencies=    0.093368
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1  -0.586263D-01 -0.224665D+01 -0.125651D+01 -0.199902D+01 -0.368360D+01
      2  -0.224665D+01 -0.528095D+01  0.480888D+00 -0.368360D+01 -0.559784D+00
      3  -0.125651D+01  0.480888D+00  0.394799D+00  0.604247D-01 -0.879459D+00
                 6             7             8             9            10 
      1   0.604247D-01 -0.115874D+01 -0.125023D+01  0.819747D+00 -0.630266D+01
      2  -0.879459D+00 -0.125023D+01 -0.246685D-01 -0.114951D+01  0.395022D+01
      3  -0.419398D+00  0.819747D+00 -0.114951D+01  0.524684D+01  0.113560D+01
                11            12            13            14            15 
      1   0.395022D+01  0.113560D+01  0.315971D+01  0.673468D+00 -0.772576D+00
      2   0.356048D+01 -0.225612D+01  0.673468D+00 -0.263100D+01  0.457477D+00
      3  -0.225612D+01  0.491787D+00 -0.772576D+00  0.457477D+00  0.443646D+00
                16            17            18            19            20 
      1   0.160435D+01 -0.923271D+00 -0.427457D+00  0.109773D+01 -0.281056D+01
      2  -0.923271D+00 -0.814914D+00  0.720553D+00 -0.281056D+01 -0.120705D+01
      3  -0.427457D+00  0.720553D+00 -0.346689D-01  0.112519D+01  0.103325D+01
                21            22            23            24            25 
      1   0.112519D+01 -0.183661D+01  0.146467D-01  0.221186D+00 -0.110714D+01
      2   0.103325D+01  0.146467D-01  0.694741D+01  0.121405D+01  0.351278D+00
      3  -0.265714D+01  0.221186D+00  0.121405D+01 -0.191279D+00 -0.168144D+01
                26            27            28            29            30 
      1   0.351278D+00 -0.168144D+01 -0.121679D+01  0.231888D+01 -0.218629D+01
      2   0.230970D+01  0.487399D+00  0.231888D+01 -0.300772D+01  0.980446D+00
      3   0.487399D+00 -0.574783D+01 -0.218629D+01  0.980446D+00  0.413985D+01
                31            32            33            34            35 
      1   0.186519D+01 -0.211555D+01  0.813371D+00 -0.198449D+01  0.651947D+00
      2  -0.211555D+01 -0.488530D+01 -0.863859D+00  0.651947D+00  0.521928D+00
      3   0.813371D+00 -0.863859D+00  0.177646D+01  0.485241D+01  0.192055D+01
                36            37            38            39            40 
      1   0.485241D+01  0.549509D+00 -0.177131D+01  0.243536D+01 -0.705720D+00
      2   0.192055D+01 -0.177131D+01  0.331500D+01 -0.100990D+01  0.353422D+01
      3  -0.636029D+00  0.243536D+01 -0.100990D+01 -0.125390D+01 -0.138556D+01
                41            42            43            44            45 
      1   0.353422D+01 -0.138556D+01  0.260063D+01 -0.202744D+01 -0.973283D+00
      2   0.210094D+01  0.126294D+00 -0.202744D+01 -0.177224D+00 -0.353593D+01
      3   0.126294D+00 -0.235417D+01 -0.973283D+00 -0.353593D+01 -0.496847D+01
                46            47            48            49            50 
      1   0.154269D+02 -0.364464D+01 -0.208974D+01 -0.322408D+01  0.372121D+01
      2  -0.364464D+01  0.153379D+01  0.977759D+00  0.372121D+01 -0.232251D+01
      3  -0.208974D+01  0.977759D+00  0.172203D+01  0.751988D+00 -0.108610D+01
                51            52            53            54            55 
      1   0.751988D+00 -0.225226D+01  0.695615D+00  0.382715D+01 -0.654350D+00
      2  -0.108610D+01  0.695615D+00 -0.432501D+00 -0.148148D+01  0.543682D+00
      3  -0.821060D+00  0.382715D+01 -0.148148D+01 -0.196267D+01 -0.964971D+00
                56            57            58            59            60 
      1   0.543682D+00 -0.964971D+00  0.150447D+00  0.233088D+00  0.103291D+00
      2   0.553945D+00 -0.633196D-01  0.233088D+00  0.943052D+00 -0.104350D+01
      3  -0.633196D-01 -0.342467D+00  0.103291D+00 -0.104350D+01  0.590945D+00
                61            62            63            64            65 
      1  -0.159068D+01  0.321334D+00 -0.109244D+00  0.427155D+01  0.330494D+01
      2   0.321334D+00 -0.226215D+01  0.226188D+01  0.330494D+01  0.449517D+01
      3  -0.109244D+00  0.226188D+01 -0.814867D+01  0.283624D+00 -0.734809D-02
                66            67            68            69            70 
      1   0.283624D+00  0.277121D+01  0.304152D+01  0.755038D-01  0.107979D+01
      2  -0.734809D-02  0.304152D+01  0.612477D+01  0.507019D+00  0.912837D+00
      3   0.634823D+00  0.755038D-01  0.507019D+00  0.914231D+00  0.531059D+00
                71            72            73            74            75 
      1   0.912837D+00  0.531059D+00  0.760742D+00  0.488814D-01  0.140980D+01
      2   0.121633D+01  0.129390D+01  0.488814D-01  0.607056D+00 -0.772958D+00
      3   0.129390D+01 -0.233727D-01  0.140980D+01 -0.772958D+00  0.210059D+01
                76            77            78            79            80 
      1   0.456982D+00  0.933709D-01 -0.117780D+00  0.235127D+01 -0.284544D+00
      2   0.933709D-01 -0.106427D+01  0.116111D+01 -0.284544D+00  0.147194D+01
      3  -0.117780D+00  0.116111D+01 -0.347334D+00  0.142647D+01 -0.187549D+01
                81            82            83            84            85 
      1   0.142647D+01 -0.100652D+00 -0.994911D+00 -0.452252D+00 -0.164345D+01
      2  -0.187549D+01 -0.994911D+00  0.435069D+00 -0.230541D+00 -0.322702D-01
      3   0.953118D+01 -0.452252D+00 -0.230541D+00  0.256812D+00 -0.788639D-01
                86            87            88            89            90 
      1  -0.322702D-01 -0.788639D-01 -0.536675D+00  0.138155D+00  0.393974D-01
      2  -0.952045D+01 -0.327842D+00  0.138155D+00 -0.250337D+01 -0.129379D+01
      3  -0.327842D+00 -0.121704D+01  0.393974D-01 -0.129379D+01  0.225506D+00
                91            92            93            94            95 
      1  -0.499871D+01 -0.101672D+01  0.293790D+01 -0.732303D+00 -0.795477D+00
      2  -0.101672D+01 -0.713994D+00  0.189028D+00 -0.795477D+00 -0.763506D-01
      3   0.293790D+01  0.189028D+00 -0.354160D+01  0.154227D+00  0.106448D+01
                96            97            98            99           100 
      1   0.154227D+00  0.332482D+01  0.403472D+00 -0.362276D+01  0.359481D+01
      2   0.106448D+01  0.403472D+00  0.976053D+00 -0.807016D+00 -0.265124D+01
      3  -0.798659D+00 -0.362276D+01 -0.807016D+00  0.546772D+01  0.191543D+01
               101           102           103           104           105 
      1  -0.265124D+01  0.191543D+01 -0.331368D+01  0.412555D+01 -0.122844D+01
      2   0.297046D+01 -0.109208D+01  0.412555D+01  0.604160D+01  0.745332D+00
      3  -0.109208D+01 -0.348931D+01 -0.122844D+01  0.745332D+00 -0.148760D+01
               106           107           108           109           110 
      1   0.140920D+01 -0.121391D+01 -0.392279D+01  0.496595D+00  0.775355D+00
      2  -0.121391D+01 -0.651610D+00 -0.148576D+01  0.775355D+00  0.512858D-01
      3  -0.392279D+01 -0.148576D+01  0.132551D+01  0.788444D+00  0.368039D+00
               111           112           113           114           115 
      1   0.788444D+00  0.691566D+00 -0.285427D+00  0.561363D-01  0.117345D+01
      2   0.368039D+00 -0.285427D+00  0.224906D+01  0.218525D+01  0.428891D+00
      3   0.744587D+00  0.561363D-01  0.218525D+01  0.236755D+01  0.700163D-01
               116           117           118           119           120 
      1   0.428891D+00  0.700163D-01 -0.468060D+01  0.307437D+01 -0.122304D+01
      2   0.308620D+01  0.366783D+01  0.307437D+01 -0.367427D+01  0.673109D+00
      3   0.366783D+01  0.756373D+01 -0.122304D+01  0.673109D+00 -0.915145D+00
               121           122           123           124           125 
      1   0.245365D+01 -0.287694D+01  0.597034D+00 -0.190997D+01  0.123825D+01
      2  -0.287694D+01  0.430564D+01 -0.821392D+00  0.123825D+01 -0.184529D+01
      3   0.597034D+00 -0.821392D+00  0.118908D+01 -0.105264D+01  0.161909D+01
               126           127           128           129           130 
      1  -0.105264D+01  0.196032D+01  0.562407D+00 -0.132979D+01  0.601004D+00
      2   0.161909D+01  0.562407D+00  0.521574D+00  0.322505D+00  0.692789D-02
      3  -0.616137D+00 -0.132979D+01  0.322505D+00  0.296401D+01  0.105857D+00
               131           132           133           134           135 
      1   0.692789D-02  0.105857D+00 -0.190278D+01 -0.643833D-01  0.136137D+01
      2  -0.480065D+00 -0.832094D+00 -0.643833D-01 -0.977887D+00 -0.117774D+00
      3  -0.832094D+00  0.417264D+00  0.136137D+01 -0.117774D+00 -0.602405D+01
               136           137           138           139           140 
      1  -0.800286D+01  0.211846D+01 -0.212349D+01  0.382820D+01 -0.225692D+01
      2   0.211846D+01 -0.204061D+01  0.469059D+00 -0.225692D+01  0.138978D+01
      3  -0.212349D+01  0.469059D+00 -0.125535D+01  0.123740D+01 -0.578594D+00
               141           142           143           144           145 
      1   0.123740D+01 -0.123644D+01  0.533236D+00 -0.106495D+01 -0.214288D+01
      2  -0.578594D+00  0.533236D+00 -0.122348D+00  0.636998D+00 -0.156117D+01
      3   0.131045D+01 -0.106495D+01  0.636998D+00 -0.100135D+01 -0.405266D+00
               146           147           148           149           150 
      1  -0.156117D+01 -0.405266D+00 -0.252310D+01 -0.339782D+01 -0.593201D+00
      2  -0.211924D+01 -0.618237D-01 -0.339782D+01 -0.856252D+01 -0.102817D+01
      3  -0.618237D-01  0.564010D-02 -0.593201D+00 -0.102817D+01 -0.137309D+01
               151           152           153 
      1   0.135678D+00  0.887653D-01 -0.730541D-01
      2   0.887653D-01  0.229807D+00 -0.861451D+00
      3  -0.730541D-01 -0.861451D+00 -0.197235D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1   0.535935D+01  0.472709D+01 -0.175771D+01  0.196380D+01  0.306320D+01
      2  -0.987134D+00 -0.149179D+01  0.131900D+01 -0.189135D+01 -0.336109D+01
      3   0.462483D+01  0.496350D+00 -0.460005D+01  0.636898D+01 -0.432336D+01
                 6             7             8             9            10 
      1  -0.441912D+01 -0.458830D+01  0.553745D+01 -0.766844D+01 -0.359666D+01
      2  -0.107413D+01 -0.321911D+01 -0.306271D+01  0.815564D+01 -0.389725D+01
      3  -0.294848D+00 -0.350804D+01 -0.360247D+01  0.436194D+01  0.171511D+01
                11            12            13            14            15 
      1   0.827062D+01 -0.326602D+01  0.586047D+01  0.534378D+01  0.481625D+00
      2  -0.802035D+01 -0.544481D+01 -0.434697D+01  0.478785D-01  0.220777D+01
      3  -0.349571D+01  0.448239D+01  0.630567D+00 -0.132217D+01 -0.186538D+01
                16            17            18            19            20 
      1   0.265522D+01  0.175608D+02 -0.674488D+01 -0.516387D+00 -0.241358D+00
      2  -0.123701D+02 -0.192707D+01  0.662584D+01 -0.422629D+01  0.469144D+01
      3   0.246149D+01 -0.536827D+01 -0.621539D-02 -0.495489D+00  0.363869D+01
                21            22            23            24            25 
      1  -0.520928D+01  0.124717D+01  0.953963D+01 -0.277192D+01 -0.670512D+00
      2   0.133641D+01  0.393533D+01 -0.841162D+00  0.259520D+01 -0.467782D+01
      3  -0.234321D+01  0.819278D+01 -0.625347D+01  0.108371D+01 -0.122445D+01
                26            27            28            29            30 
      1   0.584832D+01 -0.841219D+01  0.156416D+01 -0.190815D+01  0.996735D+00
      2   0.116338D+01 -0.219836D+01  0.859107D+01 -0.204613D+01 -0.161432D+01
      3   0.801063D+00  0.168382D+01  0.496129D+01 -0.910827D+01  0.175142D+01
                31            32            33            34            35 
      1  -0.281425D+01 -0.323839D+01 -0.320889D+01 -0.632060D+00  0.482836D+01
      2  -0.382449D+01  0.124226D+01 -0.222535D+01 -0.909611D+01 -0.420023D+01
      3  -0.284446D+01 -0.688531D+01  0.326011D-02  0.923941D+00 -0.109004D+00
                36            37            38            39            40 
      1   0.467046D+00 -0.411020D+01  0.540735D+01  0.187565D+01  0.576655D+01
      2   0.473841D+00 -0.684189D+01  0.371227D+01  0.191785D+01  0.266569D+01
      3   0.122490D+01 -0.514947D+01 -0.128680D+01  0.321996D+01  0.507167D+01
                41            42            43            44            45 
      1   0.279139D+01  0.204979D+01  0.171851D+01  0.962432D+01  0.494547D+01
      2  -0.240397D+01  0.258841D+01 -0.436541D+01  0.512458D+01  0.414322D+01
      3   0.857517D+01 -0.176437D+01  0.329955D+01 -0.358389D+01 -0.394473D+01
                46            47            48            49            50 
      1   0.171317D+01 -0.520101D+01  0.398042D+01 -0.175873D+01  0.101567D-01
      2  -0.977548D+00  0.174778D+01  0.129827D+02  0.158223D+01 -0.128917D+01
      3  -0.199576D+01 -0.125813D+02 -0.189028D+00 -0.875277D+00  0.622780D+01
                51            52            53            54            55 
      1  -0.279558D+01 -0.668140D+00 -0.325204D+01  0.137432D+01  0.132272D+00
      2  -0.392925D+01  0.433138D+01  0.123406D+00 -0.608042D+01 -0.197022D+01
      3   0.860236D+00  0.169312D+01  0.416562D+01  0.391718D+00 -0.185268D+01
                56            57            58            59            60 
      1   0.102014D+01  0.796507D+00  0.146357D+01  0.956715D-01 -0.675507D+00
      2   0.240084D+00 -0.372748D-01 -0.145860D+00 -0.600393D+00  0.938974D-02
      3  -0.114222D+01 -0.614504D+00  0.520835D+00  0.768719D+00  0.277835D+00
                61            62            63            64            65 
      1   0.980835D+00 -0.280809D+01  0.146874D+02 -0.172706D+01 -0.587528D+01
      2  -0.331278D+01  0.308992D+01 -0.967317D+01  0.220634D+01  0.245446D+01
      3  -0.281876D+01  0.317552D+01 -0.242034D+01  0.404223D+01 -0.398532D+00
                66            67            68            69            70 
      1  -0.149464D+01 -0.249309D+01 -0.460909D+01 -0.281666D+01 -0.145942D+01
      2   0.228748D+01  0.191697D+01  0.340282D+01  0.150421D+01  0.260400D+00
      3   0.601423D+00  0.453191D+01 -0.152376D+00 -0.411862D+00  0.163365D+01
                71            72            73            74            75 
      1  -0.200330D+01 -0.617775D+00 -0.241057D+00 -0.127757D+01  0.455467D+01
      2   0.182109D+01  0.195049D+00  0.105170D+01  0.288396D-02 -0.677923D+00
      3  -0.760962D-01 -0.194055D+00 -0.136961D+00 -0.179378D+01 -0.145328D+01
                76            77            78            79            80 
      1  -0.130607D+01  0.130718D+00  0.299442D+00  0.107531D+01 -0.511982D+00
      2  -0.742138D+00  0.109925D+00  0.737429D-02 -0.388765D+01  0.446918D+00
      3   0.386201D+00  0.212811D+00 -0.430313D-01 -0.265418D+01  0.300073D+00
                81            82            83            84            85 
      1   0.123816D+02  0.446633D-01  0.153473D+00 -0.532802D+00 -0.165928D+01
      2   0.798690D+00 -0.102408D+01 -0.635383D-01  0.169463D+01  0.148415D+01
      3  -0.233708D+01  0.424726D+00 -0.124196D+01  0.925408D+00  0.566527D+01
                86            87            88            89            90 
      1  -0.118002D+02 -0.363746D+01 -0.478108D+00 -0.333295D+01 -0.146348D+01
      2   0.248865D+00 -0.671948D+00 -0.237542D+00  0.431656D-01 -0.352286D+00
      3   0.295656D+01 -0.919440D-01  0.199379D+01  0.114359D+01  0.204013D+00
                91            92            93            94            95 
      1  -0.632811D+00 -0.167642D+01 -0.696582D+00 -0.368959D+00  0.125905D+00
      2   0.411927D+00  0.371871D+00  0.446853D+01  0.463844D+00 -0.934324D+00
      3   0.321302D+00 -0.267619D+01 -0.716357D+00  0.511073D+00 -0.319080D-01
                96            97            98            99           100 
      1  -0.275610D+00  0.396409D+00  0.272891D+01 -0.554500D-02  0.503170D+01
      2   0.145661D+01  0.231763D+00  0.929020D+00 -0.565566D+01 -0.134204D+00
      3   0.145083D+01 -0.102170D+01  0.284865D+01 -0.187511D+00 -0.949912D+01
               101           102           103           104           105 
      1  -0.469952D+01 -0.254021D+01 -0.698609D+01 -0.695744D+01 -0.472864D+01
      2   0.128738D+00  0.142417D+02  0.259935D+00  0.276017D+01  0.203104D+01
      3   0.741140D+01 -0.430442D+01  0.142474D+02  0.107974D+02  0.230007D+01
               106           107           108           109           110 
      1  -0.159676D+01  0.330845D+00  0.362316D+01  0.234827D+00 -0.748751D+00
      2   0.797859D+01  0.222258D+01 -0.749921D+01 -0.870700D+00 -0.106532D+01
      3  -0.399301D+01  0.468200D+00 -0.479121D+00  0.190076D+01  0.170059D+00
               111           112           113           114           115 
      1  -0.820524D+00 -0.321438D+00 -0.125846D+01 -0.356802D+01 -0.824285D-01
      2  -0.131049D-01 -0.137182D+01 -0.148117D+01 -0.197768D+01 -0.315015D+01
      3   0.127211D+01  0.209925D+01  0.630114D+00  0.208821D+01  0.300571D+01
               116           117           118           119           120 
      1  -0.626686D+00 -0.101225D+02  0.265844D+01 -0.196800D+01  0.267743D+01
      2  -0.302479D+01 -0.613969D+01  0.337074D+01 -0.246033D+01  0.319098D+01
      3   0.309293D+01  0.255278D+01 -0.575984D+01 -0.115661D+01 -0.120889D+01
               121           122           123           124           125 
      1  -0.235109D+01  0.278496D+01 -0.381474D+01  0.167969D+01 -0.171039D+01
      2  -0.157064D+01  0.227854D+01 -0.230044D+01  0.101367D+01 -0.246904D+01
      3   0.358224D+01 -0.124526D+00  0.890960D-01 -0.300650D+01 -0.108346D+01
               126           127           128           129           130 
      1   0.223070D+01 -0.247308D+01 -0.177989D+01  0.257874D+01 -0.509117D+00
      2   0.182073D+01  0.724146D+01  0.780229D+00 -0.695766D+01  0.127512D+01
      3   0.110409D+00 -0.922308D+00 -0.491608D+00  0.142245D+01  0.533131D+00
               131           132           133           134           135 
      1  -0.591835D+00  0.331445D+00  0.207228D+01  0.318730D+01 -0.487098D+01
      2   0.191545D+01 -0.768072D+00 -0.863618D+01 -0.363519D+00  0.138897D+02
      3  -0.690832D+00 -0.145505D+01  0.124085D+01 -0.123463D+01 -0.131533D+01
               136           137           138           139           140 
      1  -0.416580D+01  0.336023D+01 -0.743781D+00  0.280525D+01 -0.228186D+01
      2  -0.249715D+01  0.109014D+01  0.349574D+01  0.119295D+01 -0.651131D+00
      3   0.928914D+01 -0.884877D+01  0.248601D+01 -0.582528D+01  0.576609D+01
               141           142           143           144           145 
      1   0.128312D+00 -0.117193D+01  0.166129D+01 -0.127442D+01  0.724479D+00
      2  -0.294981D+01 -0.629394D+00 -0.108426D+01  0.185377D+01 -0.215705D+00
      3  -0.166413D+01  0.223663D+01 -0.115905D+01  0.231824D+01 -0.984376D+00
               146           147           148           149           150 
      1   0.243706D+01 -0.398624D+00  0.223023D+01  0.766406D+01 -0.344108D+01
      2  -0.884612D+00  0.672691D+00 -0.882958D+00 -0.443496D+00  0.349668D+01
      3  -0.470199D+01  0.809642D-01 -0.213517D+01 -0.166343D+02 -0.133137D+01
               151           152           153 
      1   0.286009D+00  0.145098D+00  0.658090D+00
      2  -0.894628D+00  0.165116D+01  0.411020D+00
      3  -0.262096D+00  0.221233D+00 -0.196344D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1   0.274008D+00  0.219152D+01  0.693510D+00 -0.400685D+01 -0.490617D+01
      2  -0.536044D+01 -0.166507D+02  0.749165D+00 -0.740860D+01  0.371164D+00
      3   0.508643D+01  0.144592D+02 -0.144267D+01  0.114155D+02  0.453501D+01
      4  -0.742552D+01 -0.155142D+02 -0.335681D+01 -0.696094D+01 -0.164435D+02
      5  -0.868711D-01 -0.235162D+01  0.330968D+00 -0.183184D+01 -0.181324D+01
      6  -0.395756D+01 -0.679767D+00  0.314285D+01 -0.227366D+01 -0.430932D+01
                 6             7             8             9            10 
      1   0.211314D+01  0.527152D+01 -0.507495D+01  0.114675D+02 -0.412263D+02
      2  -0.370138D+01 -0.322931D+01 -0.564895D+01  0.399979D+01  0.209846D+02
      3   0.158824D+01 -0.204221D+01  0.107239D+02 -0.154673D+02  0.202416D+02
      4  -0.156806D+01 -0.771038D+01 -0.175895D+00 -0.374746D+01  0.179012D+02
      5  -0.124532D+01 -0.398689D+00 -0.124177D+01  0.441727D+01  0.958048D+01
      6   0.359958D+01  0.337691D+01 -0.420978D+01  0.165501D+02 -0.465205D+01
                11            12            13            14            15 
      1   0.671740D+01  0.141473D+01  0.159596D+02  0.179544D+00 -0.502159D+01
      2   0.279364D+01 -0.571308D+01 -0.995755D+01 -0.197996D+01  0.200749D+01
      3  -0.951104D+01  0.429835D+01 -0.600200D+01  0.180041D+01  0.301410D+01
      4  -0.111260D+02 -0.284278D+01 -0.195598D+01  0.257051D+01  0.123353D+01
      5  -0.195162D+01 -0.105875D+02 -0.246912D+01  0.205218D+01  0.478472D+01
      6   0.705251D+01  0.350227D+01  0.240073D+01  0.744973D+00 -0.364497D+01
                16            17            18            19            20 
      1   0.108614D+02 -0.424752D+01 -0.695492D+01 -0.183192D+01 -0.334046D+01
      2  -0.531397D+01  0.233681D+01 -0.130049D+01  0.371677D+01  0.186019D+01
      3  -0.554746D+01  0.191071D+01  0.825541D+01 -0.188485D+01  0.148026D+01
      4  -0.214031D+01  0.580287D+01  0.304282D+01  0.299738D+00  0.193613D+01
      5   0.189930D+01  0.113651D+01  0.742664D+01 -0.497915D+01 -0.807358D+00
      6   0.188091D+01  0.376877D+00  0.298040D+00 -0.325997D+01 -0.331150D+01
                21            22            23            24            25 
      1   0.598290D+01  0.459981D+01  0.791352D+01  0.310988D+01  0.407668D-01
      2   0.342116D+01 -0.394125D+01 -0.208245D+02 -0.308444D+01  0.189222D+01
      3  -0.940406D+01 -0.658560D+00  0.129109D+02 -0.254346D-01 -0.193298D+01
      4  -0.113875D+00 -0.417186D+00  0.314119D+01 -0.449497D+00 -0.835636D+00
      5   0.342579D+00 -0.130407D+01 -0.237906D+00  0.372211D+01  0.340340D+01
      6   0.596979D+01  0.516907D+00 -0.385901D+01  0.354072D+01  0.137479D+01
                26            27            28            29            30 
      1   0.101433D+01  0.199337D+02  0.141307D+00 -0.422628D+01  0.630776D+01
      2  -0.874856D+01  0.488449D+01  0.370895D+01  0.151402D+01 -0.536507D+01
      3   0.773423D+01 -0.248182D+02 -0.385025D+01  0.271226D+01 -0.942692D+00
      4  -0.204810D+01  0.351063D+01 -0.439461D+01  0.260408D+01 -0.172094D+01
      5   0.290325D+01 -0.110823D+02  0.139671D+02  0.114638D+01 -0.185416D+02
      6   0.231294D+00  0.122041D+02  0.243311D+01 -0.156826D+01 -0.465089D+01
                31            32            33            34            35 
      1  -0.744029D+01  0.681943D+01 -0.356279D+01  0.184700D+01 -0.375365D+01
      2   0.512569D+01 -0.328665D+01  0.228803D+01 -0.538743D+01  0.911537D+00
      3   0.231460D+01 -0.353277D+01  0.127476D+01  0.354043D+01  0.284212D+01
      4   0.484283D+01  0.748004D+01  0.870211D+00 -0.509668D+01 -0.258519D+01
      5  -0.879563D+00  0.129234D+01 -0.565598D+01 -0.219371D+02 -0.749970D+01
      6   0.107038D+01 -0.826580D+00 -0.179223D+01 -0.509538D+01 -0.757816D-01
                36            37            38            39            40 
      1  -0.167396D+02 -0.295783D+01  0.221295D+01 -0.512751D+00  0.340709D+01
      2   0.136293D+02 -0.459446D+01  0.936942D+01 -0.137402D+01  0.750366D+01
      3   0.311030D+01  0.755230D+01 -0.115824D+02  0.188677D+01 -0.109107D+02
      4  -0.905444D+01  0.532326D+01 -0.135842D+02  0.820923D+01 -0.112859D+02
      5   0.115764D+02 -0.713052D+01  0.356366D+01  0.156572D+01  0.122374D+01
      6   0.177624D+01  0.542763D+01 -0.450130D+01 -0.332176D+01 -0.403730D+01
                41            42            43            44            45 
      1  -0.528529D+01  0.624499D+01 -0.113392D+01  0.102277D+02  0.151101D+02
      2   0.648000D+01  0.186951D+01 -0.205822D+01  0.272063D+01 -0.568141D+01
      3  -0.119471D+01 -0.811450D+01  0.319215D+01 -0.129483D+02 -0.942873D+01
      4   0.731213D+01 -0.310195D+01  0.128174D+02 -0.232918D+01  0.737083D+01
      5  -0.248686D+01  0.185208D+01  0.289091D+01  0.472069D+01  0.234777D+01
      6   0.159320D+01 -0.998776D+01 -0.605087D+00 -0.120213D+02 -0.204409D+02
                46            47            48            49            50 
      1   0.863054D+02 -0.129712D+02 -0.633440D+01 -0.142678D+02  0.989160D+01
      2  -0.452873D+02  0.312622D+01  0.600699D+01  0.471754D+01  0.434834D-01
      3  -0.410181D+02  0.984501D+01  0.327412D+00  0.955022D+01 -0.993508D+01
      4  -0.259409D+02  0.229598D+02  0.450426D+01  0.238918D+02 -0.156823D+02
      5  -0.116714D+02  0.313784D+01  0.215902D+02  0.435061D+01 -0.416020D+01
      6   0.789959D+01 -0.441204D+01 -0.551045D+01 -0.450462D+01  0.432455D+01
                51            52            53            54            55 
      1   0.178993D+01 -0.807622D+01  0.209152D+01  0.107325D+02 -0.250861D+01
      2  -0.107962D+01  0.662809D+01 -0.295458D-01 -0.108326D+02 -0.603377D+00
      3  -0.710306D+00  0.144813D+01 -0.206198D+01  0.100027D+00  0.311199D+01
      4  -0.519958D+01  0.573226D+01 -0.543939D+01 -0.747172D+01  0.336705D+00
      5  -0.653277D+01  0.230455D+02 -0.676525D+01 -0.122129D+02 -0.377009D+00
      6   0.704108D+01 -0.596388D+01  0.790514D+01  0.398856D+01 -0.269211D+01
                56            57            58            59            60 
      1   0.706997D+00 -0.161194D+01  0.834489D-01 -0.494674D+01  0.332814D+01
      2   0.827258D+00  0.486065D+00  0.787760D+00  0.388850D+01 -0.392069D+01
      3  -0.153425D+01  0.112588D+01 -0.871209D+00  0.105824D+01  0.592552D+00
      4   0.481176D+01 -0.240372D+01  0.215395D+01  0.280298D+01 -0.102826D+01
      5  -0.115485D+01  0.504139D+01  0.453173D+00 -0.426277D+00 -0.375004D+00
      6  -0.173962D+00 -0.181139D+01 -0.139941D+00 -0.461020D+01  0.683313D+01
                61            62            63            64            65 
      1  -0.343778D+01  0.950711D+01 -0.201235D+02  0.815269D+01 -0.775528D-01
      2   0.152073D+01 -0.303883D+01 -0.866128D+01  0.486768D+01  0.129811D+02
      3   0.191706D+01 -0.646828D+01  0.287848D+02 -0.130204D+02 -0.129035D+02
      4  -0.265530D+01 -0.328888D+01  0.491693D+01  0.210962D+02  0.242624D+02
      5   0.475136D+01  0.216964D+01 -0.786628D+01  0.122387D+01  0.732049D+00
      6  -0.241031D+00  0.122635D+02 -0.248351D+02  0.118483D+01  0.669443D+00
                66            67            68            69            70 
      1   0.371390D+00 -0.554711D+00 -0.915229D+01  0.128127D+00  0.727954D+00
      2   0.113416D+00  0.108100D+02  0.264699D+02  0.166835D+01  0.968259D+00
      3  -0.484806D+00 -0.102553D+02 -0.173176D+02 -0.179648D+01 -0.169621D+01
      4   0.109690D+01  0.170925D+02  0.246965D+02  0.162518D+01  0.490628D+01
      5   0.393591D+01  0.842618D+00  0.241135D+01  0.217350D+01  0.358759D+01
      6   0.303359D+01  0.398368D+00  0.141875D+01  0.509346D+01  0.335750D+01
                71            72            73            74            75 
      1  -0.209532D+00 -0.301438D+01  0.194962D+00  0.248353D+01 -0.413096D+01
      2   0.492258D+01  0.263714D+01 -0.417469D+01 -0.486752D+00 -0.324272D+01
      3  -0.471305D+01  0.377237D+00  0.397973D+01 -0.199678D+01  0.737368D+01
      4   0.456580D+01  0.548574D+01 -0.160649D+01  0.328344D+01 -0.409901D+01
      5   0.426436D+01  0.157911D+01  0.544378D+01 -0.247425D+01  0.980905D+01
      6   0.749544D+01  0.368260D+00 -0.282031D+01  0.318990D+01 -0.540643D+01
                76            77            78            79            80 
      1   0.159669D+00 -0.645609D+01  0.257298D+01 -0.163745D+01  0.716661D+01
      2   0.566085D+00  0.401553D+01 -0.357932D+01 -0.247965D+01 -0.502214D+00
      3  -0.725754D+00  0.244056D+01  0.100634D+01  0.411710D+01 -0.666440D+01
      4   0.125278D+01 -0.531394D+00  0.135096D+01 -0.400763D+01  0.205336D+01
      5   0.327305D+00  0.156722D+01 -0.173496D+00  0.631802D+01 -0.245753D+01
      6   0.140778D+01 -0.383595D+01  0.698309D+01 -0.281752D+01  0.101932D+02
                81            82            83            84            85 
      1  -0.275489D+02  0.141921D+00  0.501902D+00 -0.111337D+01 -0.132788D+01
      2  -0.141070D+02  0.310467D+01 -0.114530D+01  0.581883D+00  0.135971D+01
      3   0.416559D+02 -0.324659D+01  0.643399D+00  0.531487D+00 -0.318372D-01
      4  -0.346448D+01 -0.192419D+00  0.854159D+01  0.533892D+00  0.652257D+01
      5   0.119859D+02 -0.683800D+00 -0.117115D+01  0.193147D+01 -0.267555D+00
      6  -0.211965D+02  0.700744D+00  0.490296D+00 -0.293614D+00  0.560666D+00
                86            87            88            89            90 
      1  -0.248690D+02  0.594976D+00 -0.273868D+00 -0.342082D+01 -0.580303D+01
      2   0.443365D+02  0.189783D+01  0.701472D-01  0.858229D+01  0.378302D+01
      3  -0.194676D+02 -0.249281D+01  0.203721D+00 -0.516147D+01  0.202001D+01
      4  -0.167703D+01  0.587551D-01  0.230663D+01 -0.134106D+01 -0.267438D+00
      5   0.310164D+00 -0.569416D+00  0.814800D+00 -0.188832D+00  0.777749D+00
      6  -0.368718D+01  0.612109D+01  0.171912D+00  0.662695D+01  0.497774D+00
                91            92            93            94            95 
      1   0.175836D+02  0.247592D+01 -0.844979D+01  0.249572D+01  0.266593D+00
      2  -0.154413D+02 -0.207999D+01  0.101205D+02 -0.158024D+01 -0.745661D-01
      3  -0.214230D+01 -0.395929D+00 -0.167070D+01 -0.915481D+00 -0.192027D+00
      4   0.537685D+01  0.512743D+01 -0.212947D+01  0.572536D+01  0.135011D+01
      5  -0.212153D+02 -0.237544D+01  0.210742D+02 -0.209296D+01 -0.561273D+01
      6  -0.285174D+01 -0.242766D+01  0.352967D+01 -0.293541D+01 -0.205025D+01
                96            97            98            99           100 
      1  -0.763906D-01 -0.715622D+01 -0.122962D+00  0.263692D+01 -0.194233D+02
      2   0.131250D+00  0.119966D+02  0.125131D+01 -0.161702D+02  0.123235D+02
      3  -0.548594D-01 -0.484041D+01 -0.112835D+01  0.135333D+02  0.709979D+01
      4  -0.418396D+01 -0.248413D+01 -0.338499D+01  0.321813D+01  0.117851D+02
      5   0.330723D+01  0.218623D+02  0.365467D+01 -0.274111D+02 -0.117736D+02
      6   0.576234D+01  0.298572D+01  0.488000D+01 -0.529980D+01  0.340859D+01
               101           102           103           104           105 
      1   0.163031D+02 -0.169990D+02  0.214854D+02 -0.109185D+02  0.484643D+01
      2  -0.148060D+02  0.647448D-01 -0.196056D+02 -0.101348D+02 -0.597879D+01
      3  -0.149706D+01  0.169342D+02 -0.187978D+01  0.210534D+02  0.113236D+01
      4  -0.118707D+02  0.289323D+01 -0.175353D+02 -0.275517D+02 -0.227721D+01
      5   0.736114D+01  0.825974D+01  0.920439D+01 -0.480087D+01  0.585712D+01
      6  -0.355998D+01  0.631536D+01 -0.490583D+01 -0.562800D+01  0.253578D+01
               106           107           108           109           110 
      1  -0.128026D+02  0.448457D+01  0.188534D+02 -0.144707D+01 -0.280996D+01
      2   0.314407D+00 -0.405382D+01 -0.464831D+01  0.268750D+00  0.105858D+01
      3   0.124882D+02 -0.430749D+00 -0.142051D+02  0.117832D+01  0.175138D+01
      4   0.472560D+01  0.198254D+01  0.106959D+02 -0.405890D+00  0.491895D+01
      5   0.956179D+01  0.656536D+01  0.253077D+01  0.507041D+00  0.187288D+01
      6   0.674578D+01  0.169563D+01  0.227759D+00  0.359557D+01  0.238156D+01
               111           112           113           114           115 
      1  -0.266777D+01 -0.687053D+00 -0.960742D+01 -0.904231D+01 -0.209653D+01
      2   0.125010D+01 -0.607181D+00  0.857081D+01  0.597767D+01  0.117409D+01
      3   0.141767D+01  0.129423D+01  0.103661D+01  0.306464D+01  0.922443D+00
      4   0.259885D+01  0.430631D+01 -0.351008D+01 -0.221903D+01  0.321961D+01
      5   0.495912D+01  0.114527D+01 -0.183286D+01 -0.197139D+01  0.431113D+01
      6   0.332703D+01  0.519669D+00  0.124472D+02  0.146374D+02 -0.460951D+00
               116           117           118           119           120 
      1  -0.132050D+02 -0.217131D+02  0.104198D+02 -0.152488D+01  0.200936D+01
      2   0.644584D+01 -0.135486D+01  0.336837D+01 -0.996311D+01  0.804499D+00
      3   0.675915D+01  0.230680D+02 -0.137882D+02  0.114880D+02 -0.281386D+01
      4  -0.469975D+01 -0.553992D+01 -0.215183D+02  0.202157D+02 -0.534444D+01
      5  -0.415291D+01 -0.734274D+01  0.392241D+01 -0.212172D+01  0.438589D+01
      6   0.188871D+02  0.301227D+02 -0.352505D+01  0.188284D+01 -0.368192D+01
               121           122           123           124           125 
      1  -0.119279D+01 -0.405525D+01 -0.233437D-01  0.218646D+01  0.627421D+00
      2  -0.896418D+01  0.175001D+02 -0.359662D+01  0.156527D+01 -0.652164D+01
      3   0.101570D+02 -0.134448D+02  0.361996D+01 -0.375173D+01  0.589422D+01
      4   0.169122D+02 -0.198900D+02  0.410075D+01 -0.866670D+01  0.824256D+01
      5  -0.180721D+01  0.231384D+01 -0.263169D+01  0.510673D+01 -0.420195D+01
      6   0.183973D+01 -0.360087D+01  0.618523D+01 -0.407907D+01  0.745598D+01
               126           127           128           129           130 
      1  -0.173341D+01 -0.527705D+01 -0.122401D+01  0.110190D+02 -0.289426D+01
      2   0.258090D+01 -0.620666D+00  0.853340D+00  0.170721D+01  0.232002D+01
      3  -0.847495D+00  0.589772D+01  0.370674D+00 -0.127262D+02  0.574235D+00
      4  -0.640141D+01 -0.395428D+01  0.974708D-01  0.124204D+01  0.239282D+01
      5   0.373454D+01 -0.202197D+01 -0.147470D+01 -0.271996D+01 -0.133606D+01
      6  -0.288262D+01  0.676264D+00 -0.242694D+01 -0.415804D+01 -0.826531D+00
               131           132           133           134           135 
      1  -0.204893D+01 -0.512261D+00  0.109824D+02 -0.953517D+00 -0.202216D+02
      2   0.153837D+01  0.213881D+01 -0.831752D+00  0.144318D+01 -0.884546D+01
      3   0.510563D+00 -0.162655D+01 -0.101506D+02 -0.489668D+00  0.290671D+02
      4   0.234931D+01  0.196563D+01  0.245505D+01  0.260241D+01 -0.282418D+01
      5   0.147085D+01 -0.165634D+01  0.269344D+01  0.132413D+00  0.111453D+02
      6   0.104260D+01  0.393990D+01 -0.159931D+01  0.451684D+01  0.661151D+01
               136           137           138           139           140 
      1   0.504901D+02 -0.135737D+02  0.100520D+02 -0.218540D+02  0.103117D+02
      2  -0.294918D+02  0.889292D+01 -0.798232D+01  0.129379D+02 -0.339614D+01
      3  -0.209983D+02  0.468079D+01 -0.206968D+01  0.891606D+01 -0.691551D+01
      4  -0.866786D+01  0.116820D+02 -0.163899D+01  0.124057D+02 -0.810651D+01
      5   0.199911D+02 -0.520252D+01  0.117963D+02 -0.999461D+01  0.498022D+01
      6  -0.324917D+01  0.410648D+01 -0.113641D+01  0.419025D+01 -0.317046D+01
               141           142           143           144           145 
      1  -0.437419D+01  0.639418D+01 -0.178362D+01  0.410694D+01  0.939750D+01
      2   0.454180D+01 -0.596193D+01  0.251626D+01 -0.588118D+01 -0.983911D+00
      3  -0.167610D+00 -0.432246D+00 -0.732636D+00  0.177425D+01 -0.841359D+01
      4   0.284686D+01 -0.153736D+01  0.842834D+00 -0.344714D+01  0.110193D+02
      5  -0.749491D+01  0.108677D+02 -0.469559D+01  0.644966D+01  0.376677D+01
      6   0.176702D+01 -0.165002D+01  0.199104D+01 -0.701624D+00  0.168164D+01
               146           147           148           149           150 
      1   0.486437D+01  0.191975D+01  0.668007D+01 -0.274808D+01 -0.103315D+01
      2   0.250040D+01 -0.603726D+00  0.464580D+01  0.257052D+02  0.255015D+00
      3  -0.736477D+01 -0.131603D+01 -0.113259D+02 -0.229571D+02  0.778137D+00
      4   0.160717D+02  0.947796D+00  0.219785D+02  0.407219D+02  0.443849D+01
      5   0.164743D+01  0.255031D+01  0.443589D+01  0.497277D+01  0.660955D+01
      6   0.328839D+01  0.115035D+01  0.518165D+01  0.123827D+02  0.710881D+01
               151           152           153 
      1  -0.672323D+00 -0.126510D+01 -0.280434D+01
      2   0.157217D+00 -0.150433D+01  0.215241D+01
      3   0.515106D+00  0.276943D+01  0.651930D+00
      4  -0.102866D+01 -0.799930D+00  0.397726D+01
      5   0.254385D+01  0.468881D+01  0.407009D+00
      6   0.165091D+01  0.620502D+01  0.108764D+01

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.126112D+01      0.320545D+01      0.106922D+02
   x         -0.116024D+01     -0.294904D+01     -0.983692D+01
   y          0.383638D+00      0.975111D+00      0.325262D+01
   z          0.311602D+00      0.792012D+00      0.264187D+01

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.697834D+02      0.103408D+02      0.115057D+02
   aniso      0.128365D+02      0.190217D+01      0.211645D+01
   xx         0.765775D+02      0.113476D+02      0.126259D+02
   yx        -0.664074D+00     -0.984056D-01     -0.109491D+00
   yy         0.704327D+02      0.104370D+02      0.116128D+02
   zx        -0.124348D+01     -0.184264D+00     -0.205021D+00
   zy        -0.139431D+01     -0.206616D+00     -0.229891D+00
   zz         0.623399D+02      0.923782D+01      0.102785D+02

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  488.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.738209D+02      0.109391D+02      0.121714D+02
   aniso      0.141806D+02      0.210135D+01      0.233807D+01
   xx         0.813220D+02      0.120507D+02      0.134082D+02
   yx        -0.967823D+00     -0.143417D+00     -0.159573D+00
   yy         0.744172D+02      0.110275D+02      0.122697D+02
   zx        -0.153717D+01     -0.227785D+00     -0.253445D+00
   zy        -0.162384D+01     -0.240628D+00     -0.267734D+00
   zz         0.657236D+02      0.973924D+01      0.108364D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     6          0.31375307          2.60011328         -0.55786525
     6          0.60291535          0.24505832         -2.19928680
     6          0.89397356         -2.03950270         -0.46714025
     6          0.05208436         -1.12652576          2.15491560
     6          0.82036366          1.69637880          2.14618885
     8          0.60033342          0.20261504         -4.47391883
     1         -1.62013454          3.28736603         -0.79843978
     1          1.56308325          4.09663253         -1.22138169
     1          2.90278114         -2.53951272         -0.47007963
     1         -0.14079087         -3.66115645         -1.20271020
     1          1.05302224         -2.13589284          3.64883537
     6         -2.78794957         -1.47654919          2.54787070
     1          2.83324433          1.86408015          2.57383780
     1         -0.20129685          2.78170848          3.56836369
     1         -3.88189063         -0.51277984          1.08460476
     1         -3.38049557         -0.72163501          4.37396586
     1         -3.30102047         -3.47356550          2.48626813

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.126112D+01      0.320545D+01      0.106922D+02
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.126112D+01      0.320545D+01      0.106922D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.697834D+02      0.103408D+02      0.115057D+02
   aniso      0.128365D+02      0.190217D+01      0.211645D+01
   xx         0.628105D+02      0.930756D+01      0.103561D+02
   yx         0.124941D+01      0.185143D+00      0.205999D+00
   yy         0.706724D+02      0.104726D+02      0.116523D+02
   zx        -0.309753D+01     -0.459006D+00     -0.510713D+00
   zy        -0.747027D+00     -0.110698D+00     -0.123168D+00
   zz         0.758671D+02      0.112423D+02      0.125088D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  488.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.738209D+02      0.109391D+02      0.121714D+02
   aniso      0.141806D+02      0.210135D+01      0.233807D+01
   xx         0.660528D+02      0.978802D+01      0.108906D+02
   yx         0.115493D+01      0.171142D+00      0.190422D+00
   yy         0.746828D+02      0.110668D+02      0.123135D+02
   zx        -0.327737D+01     -0.485657D+00     -0.540366D+00
   zy        -0.750539D+00     -0.111218D+00     -0.123747D+00
   zz         0.807272D+02      0.119625D+02      0.133101D+02

 ----------------------------------------------------------------------
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 -0.00000120,-0.00000150,-0.00001883,-0.00000009,0.00001214,0.00000437,
 -0.00000668,-0.00001146,0.00002350,0.00000312,0.00003886,0.00003088,0.
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 ABOVE ALL I AM AN OPTIMIST FOR NUMBER THEORY,
 AND I HOLD THE HOPE THAT WE MAY NOT BE FAR FROM
 A TIME WHEN IRREFUTABLE ARITHMETIC WILL CELEBRATE
 ITS TRIUMPHS IN PHYSICS AND CHEMISTRY.
   -- HERMANN MINKOWSKI, 1905
 Job cpu time:       0 days  1 hours 19 minutes 36.8 seconds.
 Elapsed time:       0 days  0 hours 10 minutes  4.1 seconds.
 File lengths (MBytes):  RWF=    208 Int=      0 D2E=      0 Chk=      7 Scr=      2
 Normal termination of Gaussian 16 at Fri Jul 16 13:20:10 2021.
